============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 37 0.840 43.991 28.854 -50.383 -99.200 -91.000 TYR 70 0.840 23.267 10.387 -69.149 -99.200 -91.000 TYR 81 0.840 15.866 20.062 -64.775 -99.200 -91.000 TYR 84 0.840 25.823 11.196 -61.064 -99.200 -91.000 TRP 94 1.040 17.270 4.220 -59.121 -99.200 -91.000 TRP6 94 1.020 15.266 4.335 -57.873 -99.200 -91.000 PHE 107 1.000 23.042 20.383 -49.522 -99.200 -91.000 TRP 111 1.040 10.592 29.977 -50.596 -99.200 -91.000 TRP6 111 1.020 9.673 28.172 -49.375 -99.200 -91.000 TYR 114 0.840 17.282 24.245 -49.383 -99.200 -91.000 PHE 118 1.000 21.050 24.279 -52.105 -99.200 -91.000 TYR 130 0.840 32.737 10.180 -69.271 -99.200 -91.000 TYR 137 0.840 22.535 17.507 -57.993 -99.200 -91.000 TRP 138 1.040 16.800 21.063 -52.970 -99.200 -91.000 TRP6 138 1.020 16.098 19.185 -51.716 -99.200 -91.000 TRP 162 1.040 31.287 9.775 -41.170 -99.200 -91.000 TRP6 162 1.020 32.863 11.193 -42.215 -99.200 -91.000 HIS 170 0.900 12.194 1.959 -53.416 -99.200 -91.000 TYR 171 0.840 9.731 6.464 -47.496 -99.200 -91.000 PHE 174 1.000 9.483 12.420 -53.122 -99.200 -91.000 TYR 183 0.840 8.299 24.609 -53.428 -99.200 -91.000 TYR 190 0.840 10.399 1.893 -44.423 -99.200 -91.000 HIS 215 0.900 10.956 14.666 -41.457 -99.200 -91.000 PHE 219 1.000 1.877 22.916 -45.360 -99.200 -91.000 PHE 220 1.000 12.206 22.487 -48.764 -99.200 -91.000 TYR 223 0.840 18.984 31.319 -43.582 -99.200 -91.000 TRP 230 1.040 8.458 24.330 -31.993 -99.200 -91.000 TRP6 230 1.020 10.761 24.861 -31.910 -99.200 -91.000 TRP 247 1.040 13.723 17.237 -44.204 -99.200 -91.000 TRP6 247 1.020 14.330 16.104 -46.189 -99.200 -91.000 TRP 248 1.040 9.108 18.684 -47.814 -99.200 -91.000 TRP6 248 1.020 10.801 17.604 -49.063 -99.200 -91.000 TYR 249 0.840 13.912 21.085 -40.731 -99.200 -91.000 HIS 253 0.900 16.181 16.343 -37.374 -99.200 -91.000 TYR 261 0.840 29.999 15.529 -44.763 -99.200 -91.000 TYR 262 0.840 27.939 18.781 -36.981 -99.200 -91.000 TRP 263 1.040 36.419 14.470 -41.644 -99.200 -91.000 TRP6 263 1.020 36.020 14.443 -43.975 -99.200 -91.000 TYR 267 0.840 25.779 15.864 -34.545 -99.200 -91.000 TRP 269 1.040 25.553 19.235 -25.027 -99.200 -91.000 TRP6 269 1.020 25.749 21.412 -24.125 -99.200 -91.000 HIS 274 0.900 21.773 28.459 -33.758 -99.200 -91.000 TRP 282 1.040 16.920 7.412 -41.689 -99.200 -91.000 TRP6 282 1.020 15.884 8.452 -43.545 -99.200 -91.000 TRP 285 1.040 21.754 2.362 -39.896 -99.200 -91.000 TRP6 285 1.020 23.559 3.390 -41.026 -99.200 -91.000 TRP 289 1.040 22.716 13.823 -29.728 -99.200 -91.000 TRP6 289 1.020 22.814 16.164 -30.050 -99.200 -91.000 TYR 290 0.840 27.586 8.057 -37.257 -99.200 -91.000 PHE 302 1.000 5.756 1.369 -57.989 -99.200 -91.000 PHE 303 1.000 6.436 -0.825 -63.407 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3husB1 THR 156 HA -0.00 -0.09 0.18 -0.75 4.39 3.72 3husB1 THR 156 HB -0.00 -0.08 -0.22 -0.04 4.32 3.98 3husB1 THR 156 HG23 -0.00 0.00 -0.01 -0.04 1.22 1.18 3husB1 VAL 157 H -0.00 0.05 0.05 -0.55 8.24 7.79 3husB1 VAL 157 HA -0.00 0.16 0.44 -0.75 4.13 3.98 3husB1 VAL 157 HB -0.00 -0.09 0.15 -0.04 2.12 2.14 3husB1 VAL 157 HG13 -0.00 0.01 -0.09 -0.04 0.97 0.85 3husB1 VAL 157 HG23 -0.00 0.01 0.03 -0.04 0.95 0.95 3husB1 ASN 158 H -0.00 0.07 -0.02 -0.55 8.53 8.04 3husB1 ASN 158 HA -0.00 0.27 0.84 -0.75 4.76 5.12 3husB1 ASN 158 HB2 -0.00 -0.03 0.17 -0.04 2.88 2.98 3husB1 ASN 158 HB3 -0.00 -0.03 0.13 -0.04 2.79 2.85 3husB1 ASN 158 HD21 -0.00 0.03 -0.02 -0.04 7.03 7.00 3husB1 ASN 158 HD22 -0.00 -0.02 0.02 -0.04 7.74 7.70 3husB1 SER 159 H -0.00 0.41 -0.34 -0.55 8.46 7.98 3husB1 SER 159 HA -0.00 0.03 0.59 -0.75 4.49 4.35 3husB1 SER 159 HB2 -0.00 0.05 0.13 -0.04 3.95 4.09 3husB1 SER 159 HB3 -0.00 -0.02 0.02 -0.04 3.93 3.89 3husB1 ASN 160 H -0.00 0.26 -0.05 -0.55 8.53 8.19 3husB1 ASN 160 HA -0.00 0.08 0.05 -0.75 4.76 4.14 3husB1 ASN 160 HB2 -0.00 0.07 0.05 -0.04 2.88 2.96 3husB1 ASN 160 HB3 -0.00 -0.11 0.20 -0.04 2.79 2.84 3husB1 ASN 160 HD21 -0.00 -0.01 -0.00 -0.04 7.03 6.98 3husB1 ASN 160 HD22 -0.00 0.00 0.04 -0.04 7.74 7.74 3husB1 ILE 161 H -0.00 0.09 0.08 -0.55 8.25 7.86 3husB1 ILE 161 HA -0.00 0.10 0.05 -0.75 4.18 3.57 3husB1 ILE 161 HB -0.00 -0.25 0.10 -0.04 1.89 1.70 3husB1 ILE 161 HG12 -0.00 0.06 0.10 -0.04 1.49 1.61 3husB1 ILE 161 HG13 -0.00 0.00 0.18 -0.04 1.21 1.34 3husB1 ILE 161 HG23 -0.00 0.03 0.07 -0.04 0.93 0.98 3husB1 ILE 161 HD13 -0.00 0.01 0.08 -0.04 0.88 0.93 3husB1 PRO 162 HA -0.00 0.15 0.50 -0.51 4.44 4.57 3husB1 PRO 162 HB2 -0.00 -0.03 0.16 -0.04 2.28 2.37 3husB1 PRO 162 HB3 -0.00 0.12 0.19 -0.04 2.02 2.28 3husB1 PRO 162 HG2 -0.00 0.00 0.04 -0.04 2.03 2.03 3husB1 PRO 162 HG3 -0.00 0.17 0.08 -0.04 2.03 2.24 3husB1 PRO 162 HD2 -0.00 -0.03 0.12 -0.04 3.68 3.73 3husB1 PRO 162 HD3 -0.00 0.88 0.30 -0.04 3.65 4.79 3husB1 THR 163 H -0.00 0.13 0.08 -0.55 8.28 7.93 3husB1 THR 163 HA -0.00 0.15 0.57 -0.75 4.39 4.35 3husB1 THR 163 HB -0.00 0.07 0.07 -0.04 4.32 4.42 3husB1 THR 163 HG23 -0.00 0.03 0.06 -0.04 1.22 1.27 3husB1 ASN 164 H -0.00 0.13 -0.14 -0.55 8.53 7.97 3husB1 ASN 164 HA -0.00 0.12 0.52 -0.75 4.76 4.64 3husB1 ASN 164 HB2 -0.00 0.05 -0.03 -0.04 2.88 2.86 3husB1 ASN 164 HB3 -0.00 0.07 0.01 -0.04 2.79 2.83 3husB1 ASN 164 HD21 -0.00 0.03 0.01 -0.04 7.03 7.03 3husB1 ASN 164 HD22 -0.00 0.05 0.00 -0.04 7.74 7.75 3husB1 LEU 165 H -0.00 0.05 -0.65 -0.55 8.37 7.21 3husB1 LEU 165 HA -0.00 0.14 0.68 -0.75 4.35 4.41 3husB1 LEU 165 HB2 -0.00 0.16 0.14 -0.04 1.64 1.89 3husB1 LEU 165 HB3 -0.00 0.03 0.04 -0.04 1.64 1.66 3husB1 LEU 165 HG -0.00 -0.08 -0.06 -0.04 1.64 1.46 3husB1 LEU 165 HD13 -0.00 0.01 0.07 -0.04 0.93 0.97 3husB1 LEU 165 HD23 -0.00 0.02 0.00 -0.04 0.89 0.86 3husB1 ARG 166 H -0.00 0.40 0.02 -0.55 8.46 8.32 3husB1 ARG 166 HA -0.00 0.09 0.61 -0.75 4.34 4.29 3husB1 ARG 166 HB2 -0.00 -0.02 0.27 -0.04 1.90 2.11 3husB1 ARG 166 HB3 -0.00 0.00 0.02 -0.04 1.80 1.78 3husB1 ARG 166 HG2 -0.00 -0.00 0.06 -0.04 1.67 1.68 3husB1 ARG 166 HG3 -0.00 0.12 0.05 -0.04 1.67 1.80 3husB1 ARG 166 HD2 -0.00 -0.00 0.01 -0.04 3.22 3.19 3husB1 ARG 166 HD3 -0.00 0.02 0.00 -0.04 3.22 3.20 3husB1 VAL 167 H -0.00 0.69 -0.02 -0.55 8.24 8.36 3husB1 VAL 167 HA -0.01 0.06 0.58 -0.75 4.13 4.01 3husB1 VAL 167 HB -0.00 0.04 0.14 -0.04 2.12 2.26 3husB1 VAL 167 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.84 3husB1 VAL 167 HG23 -0.00 0.01 0.04 -0.04 0.95 0.95 3husB1 LEU 168 H -0.00 0.21 -0.51 -0.55 8.37 7.52 3husB1 LEU 168 HA -0.01 0.03 0.46 -0.75 4.35 4.08 3husB1 LEU 168 HB2 -0.00 0.42 0.33 -0.04 1.64 2.35 3husB1 LEU 168 HB3 -0.00 0.10 0.14 -0.04 1.64 1.84 3husB1 LEU 168 HG -0.00 -0.05 0.03 -0.04 1.64 1.58 3husB1 LEU 168 HD13 -0.00 -0.00 0.03 -0.04 0.93 0.92 3husB1 LEU 168 HD23 -0.00 -0.00 -0.00 -0.04 0.89 0.84 3husB1 ARG 169 H -0.00 0.43 -0.30 -0.55 8.46 8.03 3husB1 ARG 169 HA -0.00 0.04 0.53 -0.75 4.34 4.15 3husB1 ARG 169 HB2 -0.00 0.13 0.16 -0.04 1.90 2.14 3husB1 ARG 169 HB3 -0.00 0.08 0.12 -0.04 1.80 1.95 3husB1 ARG 169 HG2 -0.00 -0.05 -0.02 -0.04 1.67 1.56 3husB1 ARG 169 HG3 -0.00 -0.02 0.06 -0.04 1.67 1.67 3husB1 ARG 169 HD2 -0.00 0.01 0.01 -0.04 3.22 3.20 3husB1 ARG 169 HD3 -0.00 0.01 -0.00 -0.04 3.22 3.18 3husB1 SER 170 H -0.01 0.40 -0.23 -0.55 8.46 8.08 3husB1 SER 170 HA -0.01 0.04 0.45 -0.75 4.49 4.22 3husB1 SER 170 HB2 -0.01 -0.04 0.07 -0.04 3.95 3.94 3husB1 SER 170 HB3 -0.01 0.10 0.16 -0.04 3.93 4.15 3husB1 ILE 171 H -0.01 0.50 -0.17 -0.55 8.25 8.03 3husB1 ILE 171 HA -0.01 0.07 0.59 -0.75 4.18 4.07 3husB1 ILE 171 HB -0.01 0.10 0.11 -0.04 1.89 2.05 3husB1 ILE 171 HG12 -0.01 -0.03 0.02 -0.04 1.49 1.42 3husB1 ILE 171 HG13 -0.01 0.07 0.07 -0.04 1.21 1.30 3husB1 ILE 171 HG23 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3husB1 ILE 171 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 3husB1 LEU 172 H -0.01 0.42 -0.19 -0.55 8.37 8.05 3husB1 LEU 172 HA -0.01 0.03 0.46 -0.75 4.35 4.08 3husB1 LEU 172 HB2 -0.01 0.34 0.25 -0.04 1.64 2.19 3husB1 LEU 172 HB3 -0.01 0.03 0.10 -0.04 1.64 1.73 3husB1 LEU 172 HG -0.01 -0.04 0.09 -0.04 1.64 1.64 3husB1 LEU 172 HD13 -0.00 -0.00 0.00 -0.04 0.93 0.89 3husB1 LEU 172 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.80 3husB1 GLU 173 H -0.01 0.58 -0.17 -0.55 8.60 8.46 3husB1 GLU 173 HA -0.01 0.05 0.65 -0.75 4.29 4.23 3husB1 GLU 173 HB2 -0.01 0.13 0.13 -0.04 2.09 2.31 3husB1 GLU 173 HB3 -0.01 -0.05 0.04 -0.04 1.99 1.94 3husB1 GLU 173 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.29 3husB1 GLU 173 HG3 -0.01 0.08 0.06 -0.04 2.34 2.44 3husB1 ASN 174 H -0.01 0.29 -0.38 -0.55 8.53 7.88 3husB1 ASN 174 HA -0.01 0.04 0.58 -0.75 4.76 4.61 3husB1 ASN 174 HB2 -0.01 0.21 0.23 -0.04 2.88 3.27 3husB1 ASN 174 HB3 -0.01 0.11 0.19 -0.04 2.79 3.03 3husB1 ASN 174 HD21 -0.01 -0.02 0.02 -0.04 7.03 6.97 3husB1 ASN 174 HD22 -0.01 0.03 0.04 -0.04 7.74 7.76 3husB1 LEU 175 H -0.01 0.47 -0.17 -0.55 8.37 8.12 3husB1 LEU 175 HA -0.01 0.05 0.53 -0.75 4.35 4.16 3husB1 LEU 175 HB2 -0.01 0.16 0.17 -0.04 1.64 1.91 3husB1 LEU 175 HB3 -0.01 -0.04 0.02 -0.04 1.64 1.57 3husB1 LEU 175 HG -0.01 0.14 0.07 -0.04 1.64 1.79 3husB1 LEU 175 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 3husB1 LEU 175 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.83 3husB1 ARG 176 H -0.01 0.34 -0.23 -0.55 8.46 8.01 3husB1 ARG 176 HA -0.01 0.03 0.44 -0.75 4.34 4.05 3husB1 ARG 176 HB2 -0.01 0.12 0.19 -0.04 1.90 2.16 3husB1 ARG 176 HB3 -0.01 0.13 0.11 -0.04 1.80 1.99 3husB1 ARG 176 HG2 -0.01 -0.07 0.04 -0.04 1.67 1.60 3husB1 ARG 176 HG3 -0.01 0.00 0.06 -0.04 1.67 1.68 3husB1 ARG 176 HD2 -0.01 0.02 -0.04 -0.04 3.22 3.15 3husB1 ARG 176 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.15 3husB1 SER 177 H -0.01 0.39 -0.27 -0.55 8.46 8.02 3husB1 SER 177 HA -0.01 0.04 0.54 -0.75 4.49 4.31 3husB1 SER 177 HB2 -0.01 0.16 0.12 -0.04 3.95 4.18 3husB1 SER 177 HB3 -0.01 -0.04 0.07 -0.04 3.93 3.91 3husB1 LYS 178 H -0.01 0.33 -0.32 -0.55 8.42 7.86 3husB1 LYS 178 HA -0.01 0.05 0.64 -0.75 4.32 4.25 3husB1 LYS 178 HB2 -0.01 0.12 0.22 -0.04 1.87 2.15 3husB1 LYS 178 HB3 -0.02 -0.04 0.04 -0.04 1.79 1.74 3husB1 LYS 178 HG2 -0.01 -0.05 0.04 -0.04 1.46 1.40 3husB1 LYS 178 HG3 -0.01 0.11 0.06 -0.04 1.46 1.57 3husB1 LYS 178 HD2 -0.02 0.02 -0.04 -0.04 1.69 1.61 3husB1 LYS 178 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.61 3husB1 LYS 178 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 3husB1 LYS 178 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 3husB1 ILE 179 H -0.01 0.59 -0.01 -0.55 8.25 8.27 3husB1 ILE 179 HA -0.01 0.04 0.56 -0.75 4.18 4.02 3husB1 ILE 179 HB -0.01 0.10 0.19 -0.04 1.89 2.13 3husB1 ILE 179 HG12 -0.01 -0.03 0.03 -0.04 1.49 1.44 3husB1 ILE 179 HG13 -0.01 0.14 0.07 -0.04 1.21 1.37 3husB1 ILE 179 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 3husB1 ILE 179 HD13 -0.01 -0.03 -0.09 -0.04 0.88 0.71 3husB1 GLN 180 H -0.01 0.53 -0.15 -0.55 8.47 8.29 3husB1 GLN 180 HA -0.01 0.03 0.51 -0.75 4.36 4.13 3husB1 GLN 180 HB2 -0.01 0.04 0.14 -0.04 2.15 2.28 3husB1 GLN 180 HB3 -0.01 0.11 0.16 -0.04 2.02 2.25 3husB1 GLN 180 HG2 -0.01 -0.00 0.01 -0.04 2.40 2.36 3husB1 GLN 180 HG3 -0.01 -0.00 -0.15 -0.04 2.39 2.19 3husB1 GLN 180 HE21 -0.01 0.01 0.01 -0.04 6.97 6.93 3husB1 GLN 180 HE22 -0.01 -0.00 0.01 -0.04 7.69 7.65 3husB1 LYS 181 H -0.01 0.34 -0.32 -0.55 8.42 7.88 3husB1 LYS 181 HA -0.01 0.03 0.51 -0.75 4.32 4.09 3husB1 LYS 181 HB2 -0.01 0.15 0.21 -0.04 1.87 2.17 3husB1 LYS 181 HB3 -0.01 0.11 0.22 -0.04 1.79 2.07 3husB1 LYS 181 HG2 -0.01 -0.04 -0.11 -0.04 1.46 1.26 3husB1 LYS 181 HG3 -0.01 -0.02 0.06 -0.04 1.46 1.44 3husB1 LYS 181 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 3husB1 LYS 181 HD3 -0.01 0.02 0.02 -0.04 1.68 1.66 3husB1 LYS 181 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.90 3husB1 LYS 181 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 3husB1 LEU 182 H -0.01 0.60 -0.11 -0.55 8.37 8.30 3husB1 LEU 182 HA -0.01 0.02 0.53 -0.75 4.35 4.13 3husB1 LEU 182 HB2 -0.01 0.10 0.17 -0.04 1.64 1.86 3husB1 LEU 182 HB3 -0.01 -0.05 0.06 -0.04 1.64 1.60 3husB1 LEU 182 HG -0.02 0.09 0.10 -0.04 1.64 1.77 3husB1 LEU 182 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 3husB1 LEU 182 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.84 3husB1 GLU 183 H -0.01 0.46 -0.26 -0.55 8.60 8.24 3husB1 GLU 183 HA -0.02 0.02 0.54 -0.75 4.29 4.08 3husB1 GLU 183 HB2 -0.01 0.10 0.15 -0.04 2.09 2.28 3husB1 GLU 183 HB3 -0.01 0.11 0.18 -0.04 1.99 2.23 3husB1 GLU 183 HG2 -0.01 -0.01 -0.00 -0.04 2.34 2.27 3husB1 GLU 183 HG3 -0.02 -0.03 -0.13 -0.04 2.34 2.12 3husB1 SER 184 H -0.01 0.47 -0.21 -0.55 8.46 8.16 3husB1 SER 184 HA -0.02 0.03 0.50 -0.75 4.49 4.25 3husB1 SER 184 HB2 -0.01 0.14 0.15 -0.04 3.95 4.19 3husB1 SER 184 HB3 -0.01 -0.05 0.06 -0.04 3.93 3.88 3husB1 ASP 185 H -0.01 0.34 -0.23 -0.55 8.40 7.95 3husB1 ASP 185 HA 0.00 0.06 0.54 -0.75 4.63 4.47 3husB1 ASP 185 HB2 -0.01 0.07 0.19 -0.04 2.71 2.92 3husB1 ASP 185 HB3 -0.00 -0.03 0.02 -0.04 2.70 2.64 3husB1 VAL 186 H -0.02 0.49 -0.11 -0.55 8.24 8.06 3husB1 VAL 186 HA -0.01 0.05 0.56 -0.75 4.13 3.98 3husB1 VAL 186 HB -0.02 0.09 0.17 -0.04 2.12 2.33 3husB1 VAL 186 HG13 -0.02 -0.01 -0.07 -0.04 0.97 0.83 3husB1 VAL 186 HG23 -0.01 0.03 0.07 -0.04 0.95 0.99 3husB1 SER 187 H -0.03 0.49 -0.12 -0.55 8.46 8.25 3husB1 SER 187 HA -0.05 0.03 0.42 -0.75 4.49 4.14 3husB1 SER 187 HB2 -0.04 0.07 0.15 -0.04 3.95 4.10 3husB1 SER 187 HB3 -0.05 0.06 0.11 -0.04 3.93 4.01 3husB1 ALA 188 H -0.07 0.31 -0.44 -0.55 8.40 7.66 3husB1 ALA 188 HA -0.29 0.06 0.57 -0.75 4.34 3.92 3husB1 ALA 188 HB3 -0.07 0.05 0.13 -0.04 1.41 1.48 3husB1 GLN 189 H -0.05 0.40 -0.12 -0.55 8.47 8.16 3husB1 GLN 189 HA 0.15 0.01 0.50 -0.75 4.36 4.26 3husB1 GLN 189 HB2 0.02 0.13 0.20 -0.04 2.15 2.46 3husB1 GLN 189 HB3 0.04 -0.02 0.02 -0.04 2.02 2.03 3husB1 GLN 189 HG2 0.18 -0.01 0.06 -0.04 2.40 2.58 3husB1 GLN 189 HG3 0.06 0.00 0.05 -0.04 2.39 2.47 3husB1 GLN 189 HE21 0.03 -0.01 0.00 -0.04 6.97 6.96 3husB1 GLN 189 HE22 0.03 0.00 0.01 -0.04 7.69 7.69 3husB1 MET 190 H -0.08 0.36 -0.35 -0.55 8.47 7.85 3husB1 MET 190 HA -0.03 0.05 0.50 -0.75 4.52 4.29 3husB1 MET 190 HB2 -0.07 0.15 0.10 -0.04 2.15 2.29 3husB1 MET 190 HB3 -0.04 -0.03 0.02 -0.04 2.03 1.93 3husB1 MET 190 HG2 -0.03 0.14 0.02 -0.04 2.63 2.72 3husB1 MET 190 HG3 -0.03 -0.05 -0.02 -0.04 2.56 2.42 3husB1 MET 190 HE3 -0.02 -0.01 0.01 -0.04 2.10 2.04 3husB1 GLU 191 H -0.23 0.33 -0.41 -0.55 8.60 7.74 3husB1 GLU 191 HA -0.08 0.12 0.72 -0.75 4.29 4.29 3husB1 GLU 191 HB2 -0.40 0.17 0.17 -0.04 2.09 2.00 3husB1 GLU 191 HB3 -0.15 -0.06 0.06 -0.04 1.99 1.81 3husB1 GLU 191 HG2 -0.09 -0.03 -0.01 -0.04 2.34 2.17 3husB1 GLU 191 HG3 -0.14 0.22 0.07 -0.04 2.34 2.45 3husB1 TYR 192 H -0.26 0.29 0.01 -0.55 8.29 7.77 3husB1 TYR 192 HA -0.01 0.06 0.59 -0.75 4.56 4.45 3husB1 TYR 192 HB2 -0.01 0.05 0.11 -0.04 3.06 3.17 3husB1 TYR 192 HB3 -0.01 -0.02 0.12 -0.04 2.98 3.03 3husB1 TYR 192 HD2 -0.01 -0.02 -0.04 -0.04 7.15 7.04 3husB1 TYR 192 HE2 -0.01 -0.03 -0.06 -0.04 6.85 6.71 3husB1 CYS 193 H 0.04 0.20 -0.52 -0.55 8.50 7.67 3husB1 CYS 193 HA 0.05 0.19 0.61 -0.75 4.58 4.67 3husB1 CYS 193 HB2 0.02 0.08 0.08 -0.04 2.97 3.11 3husB1 CYS 193 HB3 0.02 -0.06 0.12 -0.04 2.97 3.00 3husB1 ARG 194 H 0.03 0.24 -0.51 -0.55 8.46 7.66 3husB1 ARG 194 HA 0.01 0.06 0.62 -0.75 4.34 4.27 3husB1 ARG 194 HB2 0.02 0.07 0.08 -0.04 1.90 2.02 3husB1 ARG 194 HB3 0.01 -0.07 0.04 -0.04 1.80 1.73 3husB1 ARG 194 HG2 -0.01 0.00 0.06 -0.04 1.67 1.68 3husB1 ARG 194 HG3 -0.01 0.11 0.16 -0.04 1.67 1.88 3husB1 ARG 194 HD2 -0.00 -0.02 0.05 -0.04 3.22 3.20 3husB1 ARG 194 HD3 -0.01 -0.05 0.04 -0.04 3.22 3.16 3husB1 THR 195 H 0.04 0.21 -0.15 -0.55 8.28 7.83 3husB1 THR 195 HA 0.02 0.19 0.88 -0.75 4.39 4.71 3husB1 THR 195 HB 0.02 0.06 0.00 -0.04 4.32 4.36 3husB1 THR 195 HG23 0.02 -0.03 -0.09 -0.04 1.22 1.08 3husB1 PRO 196 HA 0.02 0.11 0.59 -0.51 4.44 4.65 3husB1 PRO 196 HB2 0.01 0.11 0.05 -0.04 2.28 2.41 3husB1 PRO 196 HB3 0.01 0.01 0.06 -0.04 2.02 2.06 3husB1 PRO 196 HG2 0.01 0.02 -0.01 -0.04 2.03 2.01 3husB1 PRO 196 HG3 0.01 0.02 0.05 -0.04 2.03 2.07 3husB1 PRO 196 HD2 0.01 0.04 0.17 -0.04 3.68 3.87 3husB1 PRO 196 HD3 0.01 0.22 0.18 -0.04 3.65 4.02 3husB1 CYS 197 H 0.01 0.07 0.16 -0.55 8.50 8.19 3husB1 CYS 197 HA -0.00 0.09 0.60 -0.75 4.58 4.52 3husB1 CYS 197 HB2 -0.00 -0.00 0.03 -0.04 2.97 2.95 3husB1 CYS 197 HB3 -0.00 0.03 0.12 -0.04 2.97 3.07 3husB1 THR 198 H -0.00 0.17 0.18 -0.55 8.28 8.08 3husB1 THR 198 HA -0.00 0.20 0.99 -0.75 4.39 4.82 3husB1 THR 198 HB -0.00 0.02 -0.04 -0.04 4.32 4.25 3husB1 THR 198 HG23 0.00 0.04 -0.16 -0.04 1.22 1.07 3husB1 VAL 199 H -0.00 0.27 0.19 -0.55 8.24 8.14 3husB1 VAL 199 HA -0.01 0.16 0.84 -0.75 4.13 4.37 3husB1 VAL 199 HB -0.01 -0.04 0.02 -0.04 2.12 2.05 3husB1 VAL 199 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 3husB1 VAL 199 HG23 -0.01 0.02 -0.00 -0.04 0.95 0.92 3husB1 SER 200 H -0.01 0.16 -0.02 -0.55 8.46 8.04 3husB1 SER 200 HA -0.00 0.20 0.81 -0.75 4.49 4.75 3husB1 SER 200 HB2 -0.01 0.01 0.14 -0.04 3.95 4.05 3husB1 SER 200 HB3 -0.00 0.03 0.09 -0.04 3.93 4.01 3husB1 CYS 201 H -0.00 0.20 -0.16 -0.55 8.50 7.99 3husB1 CYS 201 HA 0.01 0.05 0.63 -0.75 4.58 4.52 3husB1 CYS 201 HB2 -0.01 0.03 0.10 -0.04 2.97 3.05 3husB1 CYS 201 HB3 -0.00 0.03 -0.04 -0.04 2.97 2.92 3husB1 ASN 202 H 0.03 0.43 0.27 -0.55 8.53 8.71 3husB1 ASN 202 HA 0.00 0.03 0.56 -0.75 4.76 4.60 3husB1 ASN 202 HB2 0.04 -0.03 0.04 -0.04 2.88 2.89 3husB1 ASN 202 HB3 0.01 0.02 -0.06 -0.04 2.79 2.72 3husB1 ASN 202 HD21 0.01 -0.02 -0.06 -0.04 7.03 6.92 3husB1 ASN 202 HD22 0.00 -0.00 -0.06 -0.04 7.74 7.64 3husB1 ILE 203 H -0.01 0.09 0.13 -0.55 8.25 7.91 3husB1 ILE 203 HA -0.05 0.10 0.30 -0.75 4.18 3.78 3husB1 ILE 203 HB -0.01 -0.05 0.09 -0.04 1.89 1.87 3husB1 ILE 203 HG12 -0.02 -0.01 -0.07 -0.04 1.49 1.35 3husB1 ILE 203 HG13 -0.01 0.04 0.05 -0.04 1.21 1.24 3husB1 ILE 203 HG23 -0.01 0.05 -0.12 -0.04 0.93 0.81 3husB1 ILE 203 HD13 -0.00 -0.01 -0.02 -0.04 0.88 0.81 3husB1 PRO 204 HA -0.06 -0.01 0.50 -0.51 4.44 4.36 3husB1 PRO 204 HB2 0.05 0.11 0.02 -0.04 2.28 2.42 3husB1 PRO 204 HB3 -0.08 -0.07 0.10 -0.04 2.02 1.93 3husB1 PRO 204 HG2 -0.82 0.19 0.16 -0.04 2.03 1.52 3husB1 PRO 204 HG3 -0.34 -0.02 0.10 -0.04 2.03 1.72 3husB1 PRO 204 HD2 -0.14 -0.03 0.21 -0.04 3.68 3.69 3husB1 PRO 204 HD3 -0.15 0.23 0.25 -0.04 3.65 3.93 3husB1 VAL 205 H -0.01 0.06 0.14 -0.55 8.24 7.88 3husB1 VAL 205 HA -0.00 0.11 0.33 -0.75 4.13 3.82 3husB1 VAL 205 HB -0.00 -0.04 0.09 -0.04 2.12 2.12 3husB1 VAL 205 HG13 -0.00 0.00 -0.05 -0.04 0.97 0.87 3husB1 VAL 205 HG23 -0.01 0.00 0.06 -0.04 0.95 0.95 3husB1 VAL 206 H 0.04 -0.03 -0.11 -0.55 8.24 7.60 3husB1 VAL 206 HA -0.00 0.05 0.44 -0.75 4.13 3.86 3husB1 VAL 206 HB 0.00 -0.00 0.00 -0.04 2.12 2.08 3husB1 VAL 206 HG13 0.10 -0.03 -0.04 -0.04 0.97 0.95 3husB1 VAL 206 HG23 -0.06 0.00 -0.14 -0.04 0.95 0.72 3husB1 SER 207 H -0.02 0.16 0.23 -0.55 8.46 8.29 3husB1 SER 207 HA -0.01 0.22 0.82 -0.75 4.49 4.76 3husB1 SER 207 HB2 -0.00 0.10 -0.08 -0.04 3.95 3.93 3husB1 SER 207 HB3 -0.02 -0.07 0.00 -0.04 3.93 3.81 3husB1 GLY 208 H -0.06 0.40 0.22 -0.55 8.43 8.46 3husB1 GLY 208 HA2 -0.05 0.14 0.43 -0.51 4.01 4.02 3husB1 GLY 208 HA3 -0.07 -0.04 0.21 -0.51 4.01 3.60 3husB1 LYS 209 H -0.05 0.12 0.14 -0.55 8.42 8.08 3husB1 LYS 209 HA -0.05 0.18 0.31 -0.75 4.32 4.00 3husB1 LYS 209 HB2 -0.03 -0.07 0.06 -0.04 1.87 1.78 3husB1 LYS 209 HB3 -0.02 0.09 0.15 -0.04 1.79 1.97 3husB1 LYS 209 HG2 -0.02 0.19 0.06 -0.04 1.46 1.66 3husB1 LYS 209 HG3 -0.03 -0.13 0.09 -0.04 1.46 1.35 3husB1 LYS 209 HD2 -0.02 -0.03 0.06 -0.04 1.69 1.66 3husB1 LYS 209 HD3 -0.02 -0.04 0.05 -0.04 1.68 1.63 3husB1 LYS 209 HE2 -0.01 -0.04 0.06 -0.04 2.99 2.97 3husB1 LYS 209 HE3 -0.00 0.08 0.12 -0.04 2.99 3.15 3husB1 GLU 210 H -0.07 0.06 -0.01 -0.55 8.60 8.03 3husB1 GLU 210 HA -0.05 0.22 0.30 -0.75 4.29 4.01 3husB1 GLU 210 HB2 -0.02 -0.08 0.11 -0.04 2.09 2.05 3husB1 GLU 210 HB3 -0.00 0.19 0.20 -0.04 1.99 2.34 3husB1 GLU 210 HG2 -0.01 0.15 -0.11 -0.04 2.34 2.34 3husB1 GLU 210 HG3 -0.02 -0.07 -1.05 -0.04 2.34 1.16 3husB1 CYS 211 H -0.01 0.26 0.05 -0.55 8.50 8.25 3husB1 CYS 211 HA -0.13 0.09 0.15 -0.75 4.58 3.92 3husB1 CYS 211 HB2 0.01 0.06 -0.55 -0.04 2.97 2.45 3husB1 CYS 211 HB3 -0.05 -0.05 -0.13 -0.04 2.97 2.70 3husB1 GLU 212 H -0.08 -0.04 -0.71 -0.55 8.60 7.23 3husB1 GLU 212 HA -0.14 0.14 0.69 -0.75 4.29 4.23 3husB1 GLU 212 HB2 -0.15 0.25 0.19 -0.04 2.09 2.34 3husB1 GLU 212 HB3 -0.08 -0.10 0.10 -0.04 1.99 1.87 3husB1 GLU 212 HG2 -0.08 0.03 0.02 -0.04 2.34 2.27 3husB1 GLU 212 HG3 -0.08 -0.06 -0.26 -0.04 2.34 1.90 3husB1 GLU 213 H -0.08 0.10 0.01 -0.55 8.60 8.08 3husB1 GLU 213 HA -0.08 0.13 0.43 -0.75 4.29 4.02 3husB1 GLU 213 HB2 -0.06 -0.01 0.17 -0.04 2.09 2.15 3husB1 GLU 213 HB3 -0.07 -0.09 0.10 -0.04 1.99 1.89 3husB1 GLU 213 HG2 -0.06 0.09 0.08 -0.04 2.34 2.41 3husB1 GLU 213 HG3 -0.05 0.06 0.09 -0.04 2.34 2.40 3husB1 ILE 214 H -0.15 0.23 -0.49 -0.55 8.25 7.29 3husB1 ILE 214 HA -0.15 0.13 0.32 -0.75 4.18 3.73 3husB1 ILE 214 HB -0.37 0.13 -0.06 -0.04 1.89 1.55 3husB1 ILE 214 HG12 -0.18 0.01 -0.38 -0.04 1.49 0.90 3husB1 ILE 214 HG13 -0.17 -0.07 -0.22 -0.04 1.21 0.72 3husB1 ILE 214 HG23 -0.61 -0.01 -0.17 -0.04 0.93 0.10 3husB1 ILE 214 HD13 -0.28 -0.00 -0.27 -0.04 0.88 0.29 3husB1 ILE 215 H -0.16 0.29 -0.18 -0.55 8.25 7.65 3husB1 ILE 215 HA -0.12 0.14 0.38 -0.75 4.18 3.83 3husB1 ILE 215 HB -0.13 -0.01 0.15 -0.04 1.89 1.86 3husB1 ILE 215 HG12 -0.07 -0.01 -0.04 -0.04 1.49 1.33 3husB1 ILE 215 HG13 -0.07 0.02 -0.01 -0.04 1.21 1.11 3husB1 ILE 215 HG23 -0.11 0.06 -0.06 -0.04 0.93 0.78 3husB1 ILE 215 HD13 -0.04 0.00 0.06 -0.04 0.88 0.86 3husB1 ARG 216 H -0.10 0.24 -0.39 -0.55 8.46 7.65 3husB1 ARG 216 HA -0.07 0.12 0.61 -0.75 4.34 4.25 3husB1 ARG 216 HB2 -0.07 0.04 0.07 -0.04 1.90 1.89 3husB1 ARG 216 HB3 -0.07 -0.03 0.04 -0.04 1.80 1.70 3husB1 ARG 216 HG2 -0.09 0.06 -0.04 -0.04 1.67 1.56 3husB1 ARG 216 HG3 -0.08 -0.05 -0.02 -0.04 1.67 1.48 3husB1 ARG 216 HD2 -0.08 -0.04 0.00 -0.04 3.22 3.05 3husB1 ARG 216 HD3 -0.07 0.03 0.03 -0.04 3.22 3.16 3husB1 LYS 217 H -0.09 0.17 -0.38 -0.55 8.42 7.57 3husB1 LYS 217 HA -0.05 0.11 0.73 -0.75 4.32 4.35 3husB1 LYS 217 HB2 -0.08 0.03 0.18 -0.04 1.87 1.97 3husB1 LYS 217 HB3 -0.05 -0.08 0.08 -0.04 1.79 1.70 3husB1 LYS 217 HG2 -0.05 -0.05 0.05 -0.04 1.46 1.38 3husB1 LYS 217 HG3 -0.06 0.11 0.05 -0.04 1.46 1.52 3husB1 LYS 217 HD2 -0.06 0.13 0.05 -0.04 1.69 1.77 3husB1 LYS 217 HD3 -0.04 -0.07 0.08 -0.04 1.68 1.60 3husB1 LYS 217 HE2 -0.04 -0.04 0.04 -0.04 2.99 2.91 3husB1 LYS 217 HE3 -0.04 -0.07 0.05 -0.04 2.99 2.88 3husB1 GLY 218 H -0.08 0.19 -0.20 -0.55 8.43 7.80 3husB1 GLY 218 HA2 -0.05 0.05 0.12 -0.51 4.01 3.63 3husB1 GLY 218 HA3 -0.04 0.15 0.83 -0.51 4.01 4.43 3husB1 GLY 219 H -0.11 0.64 0.08 -0.55 8.43 8.50 3husB1 GLY 219 HA2 -0.02 0.02 0.57 -0.51 4.01 4.08 3husB1 GLY 219 HA3 -0.20 0.01 0.19 -0.51 4.01 3.49 3husB1 GLU 220 H -0.01 0.21 0.14 -0.55 8.60 8.41 3husB1 GLU 220 HA -0.03 0.22 0.80 -0.75 4.29 4.52 3husB1 GLU 220 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.17 3husB1 GLU 220 HB3 -0.03 0.07 -0.13 -0.04 1.99 1.86 3husB1 GLU 220 HG2 -0.02 0.12 0.06 -0.04 2.34 2.46 3husB1 GLU 220 HG3 -0.01 -0.06 -0.06 -0.04 2.34 2.17 3husB1 THR 221 H 0.07 0.14 -0.13 -0.55 8.28 7.82 3husB1 THR 221 HA 0.04 0.18 0.92 -0.75 4.39 4.77 3husB1 THR 221 HB 0.00 0.05 -0.09 -0.04 4.32 4.24 3husB1 THR 221 HG23 -0.01 -0.00 -0.11 -0.04 1.22 1.05 3husB1 SER 222 H 0.06 0.14 0.09 -0.55 8.46 8.20 3husB1 SER 222 HA -0.02 0.20 0.66 -0.75 4.49 4.57 3husB1 SER 222 HB2 0.11 0.02 0.26 -0.04 3.95 4.30 3husB1 SER 222 HB3 0.09 0.11 0.18 -0.04 3.93 4.28 3husB1 GLU 223 H -0.09 0.32 0.36 -0.55 8.60 8.65 3husB1 GLU 223 HA -0.01 0.19 0.56 -0.75 4.29 4.28 3husB1 GLU 223 HB2 -0.02 0.03 0.09 -0.04 2.09 2.15 3husB1 GLU 223 HB3 0.08 -0.01 -0.15 -0.04 1.99 1.86 3husB1 GLU 223 HG2 -0.17 0.01 -0.32 -0.04 2.34 1.83 3husB1 GLU 223 HG3 -0.82 0.13 -0.23 -0.04 2.34 1.38 3husB1 MET 224 H -0.04 0.38 0.17 -0.55 8.47 8.44 3husB1 MET 224 HA -0.00 0.10 0.63 -0.75 4.52 4.49 3husB1 MET 224 HB2 0.06 -0.03 -0.04 -0.04 2.15 2.11 3husB1 MET 224 HB3 -0.04 -0.03 0.04 -0.04 2.03 1.95 3husB1 MET 224 HG2 -0.02 0.09 -0.26 -0.04 2.63 2.40 3husB1 MET 224 HG3 0.01 -0.06 -0.23 -0.04 2.56 2.24 3husB1 MET 224 HE3 -0.03 -0.01 -0.08 -0.04 2.10 1.94 3husB1 TYR 225 H 0.08 0.75 0.39 -0.55 8.29 8.95 3husB1 TYR 225 HA -0.05 0.15 0.79 -0.75 4.56 4.70 3husB1 TYR 225 HB2 -0.07 -0.03 -0.02 -0.04 3.06 2.90 3husB1 TYR 225 HB3 -0.07 0.06 -0.08 -0.04 2.98 2.85 3husB1 TYR 225 HD2 -0.09 0.13 -0.05 -0.04 7.15 7.10 3husB1 TYR 225 HE2 -0.10 0.00 0.00 -0.04 6.85 6.71 3husB1 LEU 226 H 0.07 0.26 0.11 -0.55 8.37 8.26 3husB1 LEU 226 HA -0.04 0.20 0.81 -0.75 4.35 4.56 3husB1 LEU 226 HB2 -0.01 -0.06 -0.02 -0.04 1.64 1.52 3husB1 LEU 226 HB3 -0.00 0.05 0.08 -0.04 1.64 1.72 3husB1 LEU 226 HG -0.04 0.05 -0.26 -0.04 1.64 1.35 3husB1 LEU 226 HD13 -0.01 0.02 -0.33 -0.04 0.93 0.57 3husB1 LEU 226 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 3husB1 ILE 227 H -0.22 0.58 0.30 -0.55 8.25 8.37 3husB1 ILE 227 HA -0.10 0.16 0.98 -0.75 4.18 4.46 3husB1 ILE 227 HB -0.17 0.07 -0.23 -0.04 1.89 1.53 3husB1 ILE 227 HG12 -0.35 0.05 -0.00 -0.04 1.49 1.16 3husB1 ILE 227 HG13 -0.80 -0.01 0.03 -0.04 1.21 0.38 3husB1 ILE 227 HG23 -0.08 -0.05 -0.42 -0.04 0.93 0.34 3husB1 ILE 227 HD13 -0.19 -0.01 -0.07 -0.04 0.88 0.57 3husB1 GLN 228 H -0.09 0.44 0.09 -0.55 8.47 8.37 3husB1 GLN 228 HA -0.08 0.20 0.71 -0.75 4.36 4.44 3husB1 GLN 228 HB2 -0.04 -0.02 -0.12 -0.04 2.15 1.94 3husB1 GLN 228 HB3 -0.03 -0.06 0.06 -0.04 2.02 1.95 3husB1 GLN 228 HG2 0.00 -0.04 -0.28 -0.04 2.40 2.04 3husB1 GLN 228 HG3 0.01 0.17 -0.02 -0.04 2.39 2.51 3husB1 GLN 228 HE21 0.01 -0.09 -0.01 -0.04 6.97 6.85 3husB1 GLN 228 HE22 0.02 0.32 -0.00 -0.04 7.69 7.98 3husB1 PRO 229 HA -0.01 0.03 0.53 -0.51 4.44 4.47 3husB1 PRO 229 HB2 0.06 -0.06 0.05 -0.04 2.28 2.29 3husB1 PRO 229 HB3 0.04 0.02 0.07 -0.04 2.02 2.11 3husB1 PRO 229 HG2 0.19 0.04 0.05 -0.04 2.03 2.26 3husB1 PRO 229 HG3 0.02 0.13 0.10 -0.04 2.03 2.24 3husB1 PRO 229 HD2 0.03 0.17 0.07 -0.04 3.68 3.91 3husB1 PRO 229 HD3 -0.19 0.09 -0.26 -0.04 3.65 3.24 3husB1 ASP 230 H 0.03 0.27 -0.10 -0.55 8.40 8.05 3husB1 ASP 230 HA 0.01 0.18 0.75 -0.75 4.63 4.82 3husB1 ASP 230 HB2 0.02 0.10 -0.16 -0.04 2.71 2.63 3husB1 ASP 230 HB3 0.03 -0.09 0.01 -0.04 2.70 2.61 3husB1 SER 231 H 0.01 0.15 0.13 -0.55 8.46 8.20 3husB1 SER 231 HA 0.01 0.17 0.38 -0.75 4.49 4.29 3husB1 SER 231 HB2 0.01 0.03 0.06 -0.04 3.95 4.01 3husB1 SER 231 HB3 0.00 0.02 0.10 -0.04 3.93 4.02 3husB1 SER 232 H 0.02 -0.04 -0.28 -0.55 8.46 7.61 3husB1 SER 232 HA 0.02 0.12 0.50 -0.75 4.49 4.37 3husB1 SER 232 HB2 0.02 0.01 0.02 -0.04 3.95 3.96 3husB1 SER 232 HB3 0.02 -0.02 0.04 -0.04 3.93 3.92 3husB1 VAL 233 H 0.04 0.11 -0.27 -0.55 8.24 7.57 3husB1 VAL 233 HA 0.04 0.07 0.69 -0.75 4.13 4.18 3husB1 VAL 233 HB 0.08 -0.01 0.04 -0.04 2.12 2.19 3husB1 VAL 233 HG13 0.09 0.06 -0.02 -0.04 0.97 1.07 3husB1 VAL 233 HG23 0.05 -0.04 -0.06 -0.04 0.95 0.86 3husB1 LYS 234 H 0.06 0.04 0.14 -0.55 8.42 8.10 3husB1 LYS 234 HA 0.05 0.10 0.45 -0.75 4.32 4.17 3husB1 LYS 234 HB2 0.04 -0.04 0.13 -0.04 1.87 1.96 3husB1 LYS 234 HB3 0.06 -0.05 0.11 -0.04 1.79 1.87 3husB1 LYS 234 HG2 0.07 0.28 -0.12 -0.04 1.46 1.65 3husB1 LYS 234 HG3 0.04 -0.04 0.06 -0.04 1.46 1.48 3husB1 LYS 234 HD2 0.03 -0.06 0.03 -0.04 1.69 1.65 3husB1 LYS 234 HD3 0.04 -0.03 -0.00 -0.04 1.68 1.65 3husB1 LYS 234 HE2 0.03 -0.06 0.01 -0.04 2.99 2.93 3husB1 LYS 234 HE3 0.04 0.12 0.02 -0.04 2.99 3.13 3husB1 PRO 235 HA -0.02 0.21 0.65 -0.51 4.44 4.78 3husB1 PRO 235 HB2 0.01 -0.06 -0.02 -0.04 2.28 2.17 3husB1 PRO 235 HB3 -0.03 0.04 -0.07 -0.04 2.02 1.91 3husB1 PRO 235 HG2 0.01 -0.02 0.05 -0.04 2.03 2.02 3husB1 PRO 235 HG3 0.00 0.06 0.05 -0.04 2.03 2.10 3husB1 PRO 235 HD2 0.03 0.02 0.21 -0.04 3.68 3.90 3husB1 PRO 235 HD3 0.03 0.20 0.24 -0.04 3.65 4.07 3husB1 TYR 236 H -0.30 0.48 0.37 -0.55 8.29 8.29 3husB1 TYR 236 HA 0.00 0.11 0.83 -0.75 4.56 4.75 3husB1 TYR 236 HB2 -0.00 -0.02 0.13 -0.04 3.06 3.13 3husB1 TYR 236 HB3 0.00 0.07 -0.11 -0.04 2.98 2.90 3husB1 TYR 236 HD2 0.01 0.22 -0.11 -0.04 7.15 7.23 3husB1 TYR 236 HE2 0.01 -0.04 -0.04 -0.04 6.85 6.74 3husB1 ARG 237 H 0.14 0.13 0.17 -0.55 8.46 8.35 3husB1 ARG 237 HA 0.00 0.19 0.69 -0.75 4.34 4.46 3husB1 ARG 237 HB2 0.02 -0.01 0.10 -0.04 1.90 1.97 3husB1 ARG 237 HB3 -0.01 -0.03 -0.06 -0.04 1.80 1.66 3husB1 ARG 237 HG2 -0.00 0.02 -0.12 -0.04 1.67 1.53 3husB1 ARG 237 HG3 0.02 -0.03 -0.07 -0.04 1.67 1.56 3husB1 ARG 237 HD2 0.01 0.00 0.01 -0.04 3.22 3.20 3husB1 ARG 237 HD3 -0.01 -0.04 -0.04 -0.04 3.22 3.10 3husB1 VAL 238 H 0.03 0.61 0.36 -0.55 8.24 8.70 3husB1 VAL 238 HA 0.10 0.10 0.67 -0.75 4.13 4.24 3husB1 VAL 238 HB 0.18 0.06 -0.20 -0.04 2.12 2.12 3husB1 VAL 238 HG13 0.04 -0.00 -0.11 -0.04 0.97 0.85 3husB1 VAL 238 HG23 0.26 0.02 0.08 -0.04 0.95 1.27 3husB1 TYR 239 H 0.31 0.20 0.15 -0.55 8.29 8.41 3husB1 TYR 239 HA 0.10 0.12 0.69 -0.75 4.56 4.72 3husB1 TYR 239 HB2 0.08 0.13 0.03 -0.04 3.06 3.26 3husB1 TYR 239 HB3 0.25 -0.04 0.07 -0.04 2.98 3.22 3husB1 TYR 239 HD2 0.09 -0.07 -0.32 -0.04 7.15 6.82 3husB1 TYR 239 HE2 0.07 0.00 -0.36 -0.04 6.85 6.53 3husB1 CYS 240 H -0.52 0.55 0.26 -0.55 8.50 8.24 3husB1 CYS 240 HA 0.07 0.26 1.10 -0.75 4.58 5.26 3husB1 CYS 240 HB2 0.10 0.06 0.12 -0.04 2.97 3.21 3husB1 CYS 240 HB3 -0.05 -0.01 -0.05 -0.04 2.97 2.81 3husB1 ASP 241 H 0.18 0.60 0.26 -0.55 8.40 8.89 3husB1 ASP 241 HA 0.11 0.09 0.88 -0.75 4.63 4.95 3husB1 ASP 241 HB2 0.22 0.07 0.05 -0.04 2.71 3.02 3husB1 ASP 241 HB3 0.33 0.01 0.18 -0.04 2.70 3.17 3husB1 MET 242 H 0.07 0.20 0.08 -0.55 8.47 8.26 3husB1 MET 242 HA 0.05 0.00 0.79 -0.75 4.52 4.61 3husB1 MET 242 HB2 0.03 -0.05 -0.44 -0.04 2.15 1.65 3husB1 MET 242 HB3 -0.00 0.11 -0.04 -0.04 2.03 2.06 3husB1 MET 242 HG2 0.00 0.00 -0.41 -0.04 2.63 2.18 3husB1 MET 242 HG3 -0.02 0.05 -0.38 -0.04 2.56 2.16 3husB1 MET 242 HE3 -0.41 0.03 -0.08 -0.04 2.10 1.59 3husB1 ASN 243 H 0.11 -0.08 -0.08 -0.55 8.53 7.92 3husB1 ASN 243 HA 0.06 0.30 0.75 -0.75 4.76 5.11 3husB1 ASN 243 HB2 0.07 -0.05 0.06 -0.04 2.88 2.92 3husB1 ASN 243 HB3 0.05 0.03 -0.03 -0.04 2.79 2.79 3husB1 ASN 243 HD21 0.04 0.06 -0.02 -0.04 7.03 7.06 3husB1 ASN 243 HD22 0.04 0.05 -0.02 -0.04 7.74 7.77 3husB1 THR 244 H 0.12 -0.03 -0.08 -0.55 8.28 7.74 3husB1 THR 244 HA 0.04 0.06 0.42 -0.75 4.39 4.16 3husB1 THR 244 HB -0.05 0.03 0.01 -0.04 4.32 4.27 3husB1 THR 244 HG23 -0.12 0.02 -0.11 -0.04 1.22 0.96 3husB1 GLU 245 H 0.07 0.13 0.14 -0.55 8.60 8.40 3husB1 GLU 245 HA 0.10 0.01 0.35 -0.75 4.29 3.99 3husB1 GLU 245 HB2 0.40 0.07 -0.20 -0.04 2.09 2.32 3husB1 GLU 245 HB3 0.26 0.07 0.05 -0.04 1.99 2.32 3husB1 GLU 245 HG2 0.02 0.03 0.01 -0.04 2.34 2.36 3husB1 GLU 245 HG3 -0.00 -0.08 -0.05 -0.04 2.34 2.17 3husB1 ASN 246 H 0.08 0.09 -0.08 -0.55 8.53 8.08 3husB1 ASN 246 HA 0.03 -0.02 0.25 -0.75 4.76 4.27 3husB1 ASN 246 HB2 0.02 0.26 -0.03 -0.04 2.88 3.09 3husB1 ASN 246 HB3 -0.02 -0.00 0.05 -0.04 2.79 2.78 3husB1 ASN 246 HD21 0.02 -0.05 -0.10 -0.04 7.03 6.86 3husB1 ASN 246 HD22 0.04 0.10 -0.17 -0.04 7.74 7.68 3husB1 GLY 247 H 0.24 0.33 -1.27 -0.55 8.43 7.19 3husB1 GLY 247 HA2 0.25 -0.04 -0.00 -0.51 4.01 3.70 3husB1 GLY 247 HA3 0.04 0.13 0.32 -0.51 4.01 3.99 3husB1 GLY 248 H -0.02 0.15 0.20 -0.55 8.43 8.21 3husB1 GLY 248 HA2 -0.13 0.21 0.16 -0.51 4.01 3.75 3husB1 GLY 248 HA3 -0.23 0.11 0.56 -0.51 4.01 3.93 3husB1 TRP 249 H 0.18 0.38 0.04 -0.55 7.97 8.03 3husB1 TRP 249 HA 0.04 0.30 0.60 -0.75 4.62 4.80 3husB1 TRP 249 HB2 0.04 -0.12 0.14 -0.04 3.23 3.25 3husB1 TRP 249 HB3 0.05 -0.06 -0.13 -0.04 3.23 3.05 3husB1 TRP 249 HD1 0.03 -0.05 -0.10 -0.04 7.22 7.06 3husB1 TRP 249 HE1 0.03 0.23 -0.02 -0.04 10.20 10.41 3husB1 TRP 249 HE3 0.05 -0.07 -0.57 -0.04 7.59 6.95 3husB1 TRP 249 HZ2 0.11 -0.01 -0.10 -0.04 7.44 7.39 3husB1 TRP 249 HZ3 0.05 0.10 -0.25 -0.04 7.13 6.99 3husB1 TRP 249 HH2 0.50 -0.02 -0.19 -0.04 7.19 7.44 3husB1 THR 250 H 0.22 0.98 0.43 -0.55 8.28 9.35 3husB1 THR 250 HA 0.14 0.14 0.88 -0.75 4.39 4.80 3husB1 THR 250 HB 0.12 0.01 0.27 -0.04 4.32 4.68 3husB1 THR 250 HG23 0.11 0.04 -0.05 -0.04 1.22 1.28 3husB1 VAL 251 H 0.22 0.53 0.31 -0.55 8.24 8.75 3husB1 VAL 251 HA 0.11 0.06 0.66 -0.75 4.13 4.21 3husB1 VAL 251 HB 0.39 0.02 0.18 -0.04 2.12 2.66 3husB1 VAL 251 HG13 0.03 0.00 -0.11 -0.04 0.97 0.85 3husB1 VAL 251 HG23 0.33 -0.00 -0.09 -0.04 0.95 1.15 3husB1 ILE 252 H -0.03 0.57 0.52 -0.55 8.25 8.76 3husB1 ILE 252 HA -0.18 0.18 0.93 -0.75 4.18 4.35 3husB1 ILE 252 HB -0.38 -0.11 0.09 -0.04 1.89 1.45 3husB1 ILE 252 HG12 -0.02 0.04 -0.13 -0.04 1.49 1.33 3husB1 ILE 252 HG13 -0.12 0.01 -0.08 -0.04 1.21 0.97 3husB1 ILE 252 HG23 0.01 0.06 -0.08 -0.04 0.93 0.87 3husB1 ILE 252 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 3husB1 GLN 253 H -0.15 0.37 0.36 -0.55 8.47 8.50 3husB1 GLN 253 HA -0.17 0.41 0.88 -0.75 4.36 4.73 3husB1 GLN 253 HB2 0.11 0.01 -0.13 -0.04 2.15 2.11 3husB1 GLN 253 HB3 0.12 -0.15 0.09 -0.04 2.02 2.04 3husB1 GLN 253 HG2 0.16 0.06 -0.08 -0.04 2.40 2.50 3husB1 GLN 253 HG3 0.72 0.02 0.02 -0.04 2.39 3.10 3husB1 GLN 253 HE21 0.11 -0.07 -0.22 -0.04 6.97 6.75 3husB1 GLN 253 HE22 0.09 -0.05 -0.33 -0.04 7.69 7.36 3husB1 ASN 254 H -0.00 0.33 0.27 -0.55 8.53 8.58 3husB1 ASN 254 HA -0.04 0.11 0.92 -0.75 4.76 5.00 3husB1 ASN 254 HB2 -0.04 -0.01 -0.13 -0.04 2.88 2.66 3husB1 ASN 254 HB3 0.05 0.16 0.17 -0.04 2.79 3.13 3husB1 ASN 254 HD21 -0.08 -0.04 -0.34 -0.04 7.03 6.53 3husB1 ASN 254 HD22 0.01 0.41 -0.35 -0.04 7.74 7.76 3husB1 ARG 255 H -0.05 0.55 0.29 -0.55 8.46 8.71 3husB1 ARG 255 HA -0.06 0.04 0.81 -0.75 4.34 4.37 3husB1 ARG 255 HB2 -0.04 -0.11 0.14 -0.04 1.90 1.85 3husB1 ARG 255 HB3 -0.05 0.08 0.04 -0.04 1.80 1.84 3husB1 ARG 255 HG2 -0.14 -0.06 -0.25 -0.04 1.67 1.18 3husB1 ARG 255 HG3 -0.17 0.10 0.00 -0.04 1.67 1.56 3husB1 ARG 255 HD2 -0.29 0.12 0.06 -0.04 3.22 3.07 3husB1 ARG 255 HD3 -1.08 -0.03 -0.07 -0.04 3.22 1.99 3husB1 GLN 256 H -0.15 -0.02 0.16 -0.55 8.47 7.92 3husB1 GLN 256 HA -0.10 0.21 0.78 -0.75 4.36 4.49 3husB1 GLN 256 HB2 -0.08 0.01 -0.01 -0.04 2.15 2.03 3husB1 GLN 256 HB3 -0.07 0.05 -0.15 -0.04 2.02 1.81 3husB1 GLN 256 HG2 -0.05 -0.15 -0.10 -0.04 2.40 2.06 3husB1 GLN 256 HG3 -0.05 -0.01 -0.10 -0.04 2.39 2.19 3husB1 GLN 256 HE21 -0.07 0.07 -0.09 -0.04 6.97 6.84 3husB1 GLN 256 HE22 -0.05 -0.03 -0.09 -0.04 7.69 7.48 3husB1 ASP 257 H -0.16 -0.08 0.13 -0.55 8.40 7.74 3husB1 ASP 257 HA -0.07 0.29 0.81 -0.75 4.63 4.90 3husB1 ASP 257 HB2 0.05 -0.19 0.25 -0.04 2.71 2.77 3husB1 ASP 257 HB3 0.06 0.12 0.06 -0.04 2.70 2.90 3husB1 GLY 258 H -0.02 0.16 0.12 -0.55 8.43 8.14 3husB1 GLY 258 HA2 -0.23 0.24 0.82 -0.51 4.01 4.33 3husB1 GLY 258 HA3 0.05 0.08 0.37 -0.51 4.01 4.00 3husB1 SER 259 H -0.02 0.04 0.00 -0.55 8.46 7.94 3husB1 SER 259 HA 0.02 0.14 0.28 -0.75 4.49 4.18 3husB1 SER 259 HB2 0.02 0.06 0.14 -0.04 3.95 4.14 3husB1 SER 259 HB3 0.01 -0.02 0.11 -0.04 3.93 3.99 3husB1 VAL 260 H 0.12 0.12 -0.39 -0.55 8.24 7.54 3husB1 VAL 260 HA 0.05 0.15 0.89 -0.75 4.13 4.48 3husB1 VAL 260 HB 0.30 -0.07 -0.06 -0.04 2.12 2.25 3husB1 VAL 260 HG13 -0.06 0.01 -0.24 -0.04 0.97 0.63 3husB1 VAL 260 HG23 0.10 0.03 -0.08 -0.04 0.95 0.96 3husB1 ASP 261 H -0.02 0.14 0.10 -0.55 8.40 8.07 3husB1 ASP 261 HA 0.09 0.08 0.60 -0.75 4.63 4.65 3husB1 ASP 261 HB2 -0.02 0.07 0.09 -0.04 2.71 2.81 3husB1 ASP 261 HB3 -0.11 -0.00 0.09 -0.04 2.70 2.63 3husB1 PHE 262 H 0.21 0.18 0.08 -0.55 8.34 8.26 3husB1 PHE 262 HA -0.17 0.16 0.80 -0.75 4.62 4.66 3husB1 PHE 262 HB2 0.09 0.09 -0.11 -0.04 3.15 3.18 3husB1 PHE 262 HB3 0.16 0.08 0.07 -0.04 3.06 3.33 3husB1 PHE 262 HD2 0.22 0.08 -0.15 -0.04 7.28 7.38 3husB1 PHE 262 HE2 0.26 -0.05 -0.15 -0.04 7.38 7.41 3husB1 PHE 262 HZ 0.19 -0.03 -0.22 -0.04 7.32 7.22 3husB1 GLY 263 H 0.00 0.04 -0.19 -0.55 8.43 7.74 3husB1 GLY 263 HA2 0.17 0.19 0.98 -0.51 4.01 4.84 3husB1 GLY 263 HA3 0.03 0.09 0.44 -0.51 4.01 4.05 3husB1 ARG 264 H 0.23 0.20 -0.19 -0.55 8.46 8.15 3husB1 ARG 264 HA 0.24 0.22 0.86 -0.75 4.34 4.90 3husB1 ARG 264 HB2 -0.44 0.04 -0.06 -0.04 1.90 1.39 3husB1 ARG 264 HB3 -0.10 -0.13 0.08 -0.04 1.80 1.61 3husB1 ARG 264 HG2 -0.15 0.06 -0.13 -0.04 1.67 1.42 3husB1 ARG 264 HG3 -0.47 -0.01 -0.34 -0.04 1.67 0.82 3husB1 ARG 264 HD2 -0.99 0.01 -0.06 -0.04 3.22 2.15 3husB1 ARG 264 HD3 -0.25 -0.04 -0.01 -0.04 3.22 2.88 3husB1 LYS 265 H 0.08 0.12 0.11 -0.55 8.42 8.18 3husB1 LYS 265 HA -0.20 0.07 0.33 -0.75 4.32 3.76 3husB1 LYS 265 HB2 0.05 -0.01 0.12 -0.04 1.87 1.99 3husB1 LYS 265 HB3 0.01 -0.13 0.21 -0.04 1.79 1.84 3husB1 LYS 265 HG2 0.01 0.01 0.06 -0.04 1.46 1.49 3husB1 LYS 265 HG3 0.01 0.07 0.06 -0.04 1.46 1.56 3husB1 LYS 265 HD2 -0.17 -0.02 0.03 -0.04 1.69 1.49 3husB1 LYS 265 HD3 -0.77 -0.01 -0.08 -0.04 1.68 0.78 3husB1 LYS 265 HE2 -0.04 0.06 -0.03 -0.04 2.99 2.93 3husB1 LYS 265 HE3 0.11 0.04 -0.01 -0.04 2.99 3.08 3husB1 TRP 266 H 0.23 0.17 0.13 -0.55 7.97 7.95 3husB1 TRP 266 HA 0.13 0.14 0.47 -0.75 4.62 4.60 3husB1 TRP 266 HB2 0.02 -0.02 0.05 -0.04 3.23 3.24 3husB1 TRP 266 HB3 0.03 0.02 0.06 -0.04 3.23 3.30 3husB1 TRP 266 HD1 0.07 -0.00 -0.18 -0.04 7.22 7.07 3husB1 TRP 266 HE1 0.12 0.01 -0.05 -0.04 10.20 10.24 3husB1 TRP 266 HE3 0.12 -0.16 -0.02 -0.04 7.59 7.48 3husB1 TRP 266 HZ2 0.10 -0.01 -0.04 -0.04 7.44 7.45 3husB1 TRP 266 HZ3 0.26 0.18 -0.31 -0.04 7.13 7.21 3husB1 TRP 266 HH2 0.30 0.14 -0.08 -0.04 7.19 7.51 3husB1 ASP 267 H 0.20 0.05 -0.08 -0.55 8.40 8.03 3husB1 ASP 267 HA 0.09 0.11 0.46 -0.75 4.63 4.54 3husB1 ASP 267 HB2 0.14 0.01 0.08 -0.04 2.71 2.91 3husB1 ASP 267 HB3 0.09 0.02 0.07 -0.04 2.70 2.84 3husB1 PRO 268 HA 0.09 0.15 0.42 -0.51 4.44 4.59 3husB1 PRO 268 HB2 -0.01 0.07 -0.11 -0.04 2.28 2.19 3husB1 PRO 268 HB3 0.02 0.10 0.00 -0.04 2.02 2.11 3husB1 PRO 268 HG2 0.01 -0.11 0.05 -0.04 2.03 1.94 3husB1 PRO 268 HG3 0.03 0.13 0.02 -0.04 2.03 2.17 3husB1 PRO 268 HD2 0.11 0.02 -0.35 -0.04 3.68 3.42 3husB1 PRO 268 HD3 0.08 0.09 0.05 -0.04 3.65 3.83 3husB1 TYR 269 H 0.19 0.29 -0.44 -0.55 8.29 7.78 3husB1 TYR 269 HA 0.05 0.09 0.51 -0.75 4.56 4.45 3husB1 TYR 269 HB2 -0.18 0.11 0.04 -0.04 3.06 3.00 3husB1 TYR 269 HB3 -0.48 -0.03 -0.07 -0.04 2.98 2.36 3husB1 TYR 269 HD2 -0.61 0.12 -0.04 -0.04 7.15 6.58 3husB1 TYR 269 HE2 -0.47 -0.04 0.06 -0.04 6.85 6.36 3husB1 LYS 270 H -0.13 0.27 -0.30 -0.55 8.42 7.70 3husB1 LYS 270 HA -0.35 -0.08 0.57 -0.75 4.32 3.71 3husB1 LYS 270 HB2 -0.32 0.05 0.11 -0.04 1.87 1.66 3husB1 LYS 270 HB3 -0.06 0.11 0.24 -0.04 1.79 2.03 3husB1 LYS 270 HG2 0.01 0.05 -0.22 -0.04 1.46 1.26 3husB1 LYS 270 HG3 0.09 -0.09 0.02 -0.04 1.46 1.44 3husB1 LYS 270 HD2 0.22 -0.03 -0.02 -0.04 1.69 1.82 3husB1 LYS 270 HD3 0.11 0.00 -0.01 -0.04 1.68 1.75 3husB1 LYS 270 HE2 0.12 0.00 -0.02 -0.04 2.99 3.05 3husB1 LYS 270 HE3 0.08 0.04 -0.04 -0.04 2.99 3.03 3husB1 GLN 271 H -0.02 0.48 -0.00 -0.55 8.47 8.39 3husB1 GLN 271 HA -0.04 0.05 0.57 -0.75 4.36 4.18 3husB1 GLN 271 HB2 0.02 0.02 0.12 -0.04 2.15 2.27 3husB1 GLN 271 HB3 -0.01 0.03 0.06 -0.04 2.02 2.06 3husB1 GLN 271 HG2 0.02 0.12 0.09 -0.04 2.40 2.59 3husB1 GLN 271 HG3 0.03 -0.04 -0.00 -0.04 2.39 2.34 3husB1 GLN 271 HE21 0.04 -0.01 -0.03 -0.04 6.97 6.93 3husB1 GLN 271 HE22 0.05 -0.05 -0.01 -0.04 7.69 7.64 3husB1 GLY 272 H 0.01 0.33 -0.02 -0.55 8.43 8.21 3husB1 GLY 272 HA2 -0.11 -0.09 0.19 -0.51 4.01 3.49 3husB1 GLY 272 HA3 -0.08 0.37 0.73 -0.51 4.01 4.51 3husB1 PHE 273 H -0.59 0.21 0.24 -0.55 8.34 7.64 3husB1 PHE 273 HA -0.04 0.22 0.94 -0.75 4.62 4.99 3husB1 PHE 273 HB2 -0.14 -0.05 0.13 -0.04 3.15 3.05 3husB1 PHE 273 HB3 -0.13 -0.03 -0.04 -0.04 3.06 2.83 3husB1 PHE 273 HD2 -0.36 0.02 -0.38 -0.04 7.28 6.51 3husB1 PHE 273 HE2 -2.12 -0.02 -0.15 -0.04 7.38 5.05 3husB1 PHE 273 HZ -0.99 0.03 0.00 -0.04 7.32 6.32 3husB1 GLY 274 H 0.16 0.08 0.17 -0.55 8.43 8.29 3husB1 GLY 274 HA2 0.12 -0.02 0.36 -0.51 4.01 3.96 3husB1 GLY 274 HA3 0.19 0.16 0.68 -0.51 4.01 4.53 3husB1 ASN 275 H 0.13 0.52 0.16 -0.55 8.53 8.79 3husB1 ASN 275 HA -0.02 0.14 0.80 -0.75 4.76 4.92 3husB1 ASN 275 HB2 0.04 -0.08 -0.01 -0.04 2.88 2.79 3husB1 ASN 275 HB3 -0.01 -0.00 -0.20 -0.04 2.79 2.54 3husB1 ASN 275 HD21 0.02 0.04 -0.04 -0.04 7.03 7.01 3husB1 ASN 275 HD22 0.04 -0.06 -0.03 -0.04 7.74 7.64 3husB1 VAL 276 H -0.17 0.17 0.02 -0.55 8.24 7.70 3husB1 VAL 276 HA -1.35 0.12 0.27 -0.75 4.13 2.43 3husB1 VAL 276 HB -0.17 -0.06 0.03 -0.04 2.12 1.88 3husB1 VAL 276 HG13 -0.20 -0.03 -0.36 -0.04 0.97 0.34 3husB1 VAL 276 HG23 -0.32 0.04 -0.09 -0.04 0.95 0.55 3husB1 ALA 277 H -0.08 0.19 -0.04 -0.55 8.40 7.92 3husB1 ALA 277 HA -0.04 0.05 0.57 -0.75 4.34 4.17 3husB1 ALA 277 HB3 0.14 0.04 -0.21 -0.04 1.41 1.33 3husB1 THR 278 H -0.01 0.73 0.02 -0.55 8.28 8.47 3husB1 THR 278 HA -0.01 0.12 0.84 -0.75 4.39 4.59 3husB1 THR 278 HB -0.01 0.02 -0.02 -0.04 4.32 4.27 3husB1 THR 278 HG23 -0.01 -0.02 -0.21 -0.04 1.22 0.94 3husB1 ASN 279 H -0.02 0.12 0.09 -0.55 8.53 8.17 3husB1 ASN 279 HA -0.06 0.01 0.37 -0.75 4.76 4.34 3husB1 ASN 279 HB2 -0.03 -0.03 0.09 -0.04 2.88 2.87 3husB1 ASN 279 HB3 -0.06 0.18 -0.11 -0.04 2.79 2.75 3husB1 ASN 279 HD21 -0.02 0.31 -0.40 -0.04 7.03 6.87 3husB1 ASN 279 HD22 -0.07 0.14 -0.42 -0.04 7.74 7.35 3husB1 THR 280 H -0.15 0.21 0.34 -0.55 8.28 8.14 3husB1 THR 280 HA -0.06 0.10 0.81 -0.75 4.39 4.49 3husB1 THR 280 HB -0.12 0.09 0.01 -0.04 4.32 4.26 3husB1 THR 280 HG23 -0.04 -0.04 0.07 -0.04 1.22 1.18 3husB1 ASP 281 H -0.05 0.12 0.13 -0.55 8.40 8.06 3husB1 ASP 281 HA -0.05 0.03 0.32 -0.75 4.63 4.18 3husB1 ASP 281 HB2 -0.03 0.02 0.14 -0.04 2.71 2.80 3husB1 ASP 281 HB3 -0.03 0.01 0.09 -0.04 2.70 2.73 3husB1 GLY 282 H -0.04 0.14 0.20 -0.55 8.43 8.18 3husB1 GLY 282 HA2 -0.03 -0.00 0.34 -0.51 4.01 3.80 3husB1 GLY 282 HA3 -0.03 0.10 0.57 -0.51 4.01 4.14 3husB1 LYS 283 H -0.10 0.40 -0.04 -0.55 8.42 8.11 3husB1 LYS 283 HA -0.08 0.14 0.94 -0.75 4.32 4.57 3husB1 LYS 283 HB2 -0.39 0.16 0.05 -0.04 1.87 1.65 3husB1 LYS 283 HB3 -0.66 -0.16 0.09 -0.04 1.79 1.02 3husB1 LYS 283 HG2 -0.12 0.06 -0.49 -0.04 1.46 0.87 3husB1 LYS 283 HG3 -0.27 -0.05 -0.11 -0.04 1.46 1.00 3husB1 LYS 283 HD2 0.05 -0.06 0.01 -0.04 1.69 1.65 3husB1 LYS 283 HD3 -0.01 0.08 0.03 -0.04 1.68 1.74 3husB1 LYS 283 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.91 3husB1 LYS 283 HE3 0.08 -0.02 -0.01 -0.04 2.99 3.00 3husB1 ASN 284 H 0.00 0.14 0.17 -0.55 8.53 8.29 3husB1 ASN 284 HA -0.02 0.16 0.63 -0.75 4.76 4.78 3husB1 ASN 284 HB2 0.04 0.01 0.11 -0.04 2.88 3.00 3husB1 ASN 284 HB3 0.02 0.01 0.08 -0.04 2.79 2.86 3husB1 ASN 284 HD21 0.07 0.01 0.02 -0.04 7.03 7.09 3husB1 ASN 284 HD22 0.04 0.01 0.02 -0.04 7.74 7.77 3husB1 TYR 285 H -0.20 0.02 -0.11 -0.55 8.29 7.45 3husB1 TYR 285 HA -0.04 0.15 0.98 -0.75 4.56 4.90 3husB1 TYR 285 HB2 -0.08 0.10 0.01 -0.04 3.06 3.04 3husB1 TYR 285 HB3 -0.05 0.03 -0.04 -0.04 2.98 2.89 3husB1 TYR 285 HD2 -0.03 -0.00 -0.23 -0.04 7.15 6.84 3husB1 TYR 285 HE2 -0.01 0.03 -0.05 -0.04 6.85 6.78 3husB1 CYS 286 H 0.08 0.21 0.06 -0.55 8.50 8.30 3husB1 CYS 286 HA -0.03 -0.00 0.64 -0.75 4.58 4.44 3husB1 CYS 286 HB2 0.04 -0.01 0.01 -0.04 2.97 2.96 3husB1 CYS 286 HB3 0.04 0.09 -0.45 -0.04 2.97 2.60 3husB1 GLY 287 H -0.03 0.06 0.22 -0.55 8.43 8.13 3husB1 GLY 287 HA2 0.23 0.11 0.68 -0.51 4.01 4.52 3husB1 GLY 287 HA3 0.16 -0.01 0.30 -0.51 4.01 3.95 3husB1 LEU 288 H 0.05 0.14 0.06 -0.55 8.37 8.07 3husB1 LEU 288 HA 0.07 0.18 0.76 -0.75 4.35 4.61 3husB1 LEU 288 HB2 -0.00 0.03 -0.03 -0.04 1.64 1.60 3husB1 LEU 288 HB3 -0.02 0.10 -0.04 -0.04 1.64 1.64 3husB1 LEU 288 HG 0.02 -0.09 -0.06 -0.04 1.64 1.47 3husB1 LEU 288 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.85 3husB1 LEU 288 HD23 0.01 0.01 0.00 -0.04 0.89 0.88 3husB1 PRO 289 HA -0.39 0.15 0.63 -0.51 4.44 4.31 3husB1 PRO 289 HB2 -0.38 0.12 -0.03 -0.04 2.28 1.94 3husB1 PRO 289 HB3 -1.95 0.01 0.03 -0.04 2.02 0.07 3husB1 PRO 289 HG2 -0.22 -0.01 -0.04 -0.04 2.03 1.72 3husB1 PRO 289 HG3 -0.40 0.01 0.01 -0.04 2.03 1.60 3husB1 PRO 289 HD2 -0.11 0.03 0.18 -0.04 3.68 3.75 3husB1 PRO 289 HD3 -0.11 0.23 0.21 -0.04 3.65 3.94 3husB1 GLY 290 H -0.05 0.54 -0.02 -0.55 8.43 8.35 3husB1 GLY 290 HA2 0.00 0.08 0.68 -0.51 4.01 4.26 3husB1 GLY 290 HA3 0.03 -0.01 0.05 -0.51 4.01 3.57 3husB1 GLU 291 H 0.10 -0.00 0.07 -0.55 8.60 8.22 3husB1 GLU 291 HA 0.20 0.28 0.68 -0.75 4.29 4.69 3husB1 GLU 291 HB2 0.18 -0.14 0.12 -0.04 2.09 2.21 3husB1 GLU 291 HB3 0.43 0.10 0.03 -0.04 1.99 2.50 3husB1 GLU 291 HG2 0.05 0.19 0.02 -0.04 2.34 2.56 3husB1 GLU 291 HG3 0.03 -0.14 -0.00 -0.04 2.34 2.19 3husB1 TYR 292 H 0.24 0.24 0.30 -0.55 8.29 8.51 3husB1 TYR 292 HA 0.07 0.00 0.49 -0.75 4.56 4.37 3husB1 TYR 292 HB2 -0.02 0.27 -0.20 -0.04 3.06 3.07 3husB1 TYR 292 HB3 0.04 0.07 -0.75 -0.04 2.98 2.30 3husB1 TYR 292 HD2 -0.01 0.21 -0.36 -0.04 7.15 6.95 3husB1 TYR 292 HE2 0.02 0.02 -0.02 -0.04 6.85 6.82 3husB1 TRP 293 H -0.37 0.38 0.17 -0.55 7.97 7.61 3husB1 TRP 293 HA -0.24 0.26 0.99 -0.75 4.62 4.87 3husB1 TRP 293 HB2 -0.46 0.00 0.09 -0.04 3.23 2.82 3husB1 TRP 293 HB3 -1.82 -0.09 0.18 -0.04 3.23 1.47 3husB1 TRP 293 HD1 -0.46 0.03 -0.04 -0.04 7.22 6.70 3husB1 TRP 293 HE1 -0.28 0.00 -0.00 -0.04 10.20 9.88 3husB1 TRP 293 HE3 0.27 0.01 0.08 -0.04 7.59 7.90 3husB1 TRP 293 HZ2 -0.20 -0.01 -0.07 -0.04 7.44 7.13 3husB1 TRP 293 HZ3 0.47 -0.05 -0.05 -0.04 7.13 7.47 3husB1 TRP 293 HH2 0.36 -0.03 -0.05 -0.04 7.19 7.44 3husB1 LEU 294 H -0.74 0.56 0.23 -0.55 8.37 7.88 3husB1 LEU 294 HA 0.02 0.09 0.32 -0.75 4.35 4.03 3husB1 LEU 294 HB2 -0.17 0.06 0.22 -0.04 1.64 1.71 3husB1 LEU 294 HB3 -0.40 -0.08 0.12 -0.04 1.64 1.24 3husB1 LEU 294 HG -0.16 -0.01 -0.07 -0.04 1.64 1.35 3husB1 LEU 294 HD13 0.28 0.01 0.07 -0.04 0.93 1.25 3husB1 LEU 294 HD23 0.07 0.00 -0.09 -0.04 0.89 0.83 3husB1 GLY 295 H -0.95 -0.03 -0.22 -0.55 8.43 6.69 3husB1 GLY 295 HA2 0.02 0.10 0.08 -0.51 4.01 3.70 3husB1 GLY 295 HA3 -0.17 0.42 0.54 -0.51 4.01 4.29 3husB1 ASN 296 H -0.11 0.89 0.31 -0.55 8.53 9.07 3husB1 ASN 296 HA -0.28 0.01 0.36 -0.75 4.76 4.10 3husB1 ASN 296 HB2 -1.11 -0.01 0.06 -0.04 2.88 1.78 3husB1 ASN 296 HB3 -2.18 -0.01 -0.01 -0.04 2.79 0.54 3husB1 ASN 296 HD21 -1.09 -0.00 -0.06 -0.04 7.03 5.83 3husB1 ASN 296 HD22 -0.28 -0.03 -0.01 -0.04 7.74 7.38 3husB1 ASP 297 H -0.19 0.47 -0.12 -0.55 8.40 8.01 3husB1 ASP 297 HA 0.09 -0.01 0.61 -0.75 4.63 4.57 3husB1 ASP 297 HB2 -0.06 0.31 0.14 -0.04 2.71 3.06 3husB1 ASP 297 HB3 -0.01 -0.00 0.01 -0.04 2.70 2.66 3husB1 LYS 298 H -0.17 0.41 -0.29 -0.55 8.42 7.82 3husB1 LYS 298 HA -0.10 0.09 0.55 -0.75 4.32 4.11 3husB1 LYS 298 HB2 -0.27 0.14 -0.07 -0.04 1.87 1.63 3husB1 LYS 298 HB3 -0.31 -0.03 -0.02 -0.04 1.79 1.39 3husB1 LYS 298 HG2 -0.54 -0.05 -0.01 -0.04 1.46 0.82 3husB1 LYS 298 HG3 -0.30 -0.04 -0.00 -0.04 1.46 1.08 3husB1 LYS 298 HD2 -0.43 0.41 0.13 -0.04 1.69 1.75 3husB1 LYS 298 HD3 -1.56 -0.08 0.02 -0.04 1.68 0.02 3husB1 LYS 298 HE2 -0.61 -0.07 0.03 -0.04 2.99 2.29 3husB1 LYS 298 HE3 -0.29 0.06 0.12 -0.04 2.99 2.83 3husB1 ILE 299 H -0.12 0.31 -0.15 -0.55 8.25 7.74 3husB1 ILE 299 HA -0.02 0.11 0.36 -0.75 4.18 3.88 3husB1 ILE 299 HB -0.02 0.05 -0.07 -0.04 1.89 1.81 3husB1 ILE 299 HG12 -0.26 -0.02 -0.06 -0.04 1.49 1.11 3husB1 ILE 299 HG13 -0.24 0.18 -0.15 -0.04 1.21 0.96 3husB1 ILE 299 HG23 0.07 -0.01 -0.11 -0.04 0.93 0.84 3husB1 ILE 299 HD13 -0.55 -0.05 -0.09 -0.04 0.88 0.15 3husB1 SER 300 H -0.00 0.32 -0.19 -0.55 8.46 8.04 3husB1 SER 300 HA -0.01 0.14 0.47 -0.75 4.49 4.34 3husB1 SER 300 HB2 0.11 0.17 0.13 -0.04 3.95 4.32 3husB1 SER 300 HB3 0.06 -0.16 0.07 -0.04 3.93 3.86 3husB1 GLN 301 H 0.03 0.26 -0.11 -0.55 8.47 8.11 3husB1 GLN 301 HA 0.02 -0.02 0.32 -0.75 4.36 3.92 3husB1 GLN 301 HB2 0.04 -0.04 0.09 -0.04 2.15 2.19 3husB1 GLN 301 HB3 0.03 0.14 0.05 -0.04 2.02 2.20 3husB1 GLN 301 HG2 0.08 0.12 -0.14 -0.04 2.40 2.42 3husB1 GLN 301 HG3 0.04 0.01 -1.07 -0.04 2.39 1.33 3husB1 GLN 301 HE21 0.03 -0.02 -0.14 -0.04 6.97 6.80 3husB1 GLN 301 HE22 0.04 0.02 -0.13 -0.04 7.69 7.58 3husB1 LEU 302 H 0.03 0.15 -0.95 -0.55 8.37 7.05 3husB1 LEU 302 HA 0.04 -0.01 0.28 -0.75 4.35 3.91 3husB1 LEU 302 HB2 0.05 0.05 0.18 -0.04 1.64 1.88 3husB1 LEU 302 HB3 0.07 -0.08 0.14 -0.04 1.64 1.73 3husB1 LEU 302 HG 0.13 0.16 0.07 -0.04 1.64 1.96 3husB1 LEU 302 HD13 0.13 -0.04 -0.03 -0.04 0.93 0.95 3husB1 LEU 302 HD23 0.07 -0.03 0.06 -0.04 0.89 0.95 3husB1 THR 303 H -0.01 0.94 -0.39 -0.55 8.28 8.26 3husB1 THR 303 HA -0.01 0.15 1.01 -0.75 4.39 4.79 3husB1 THR 303 HB -0.22 0.07 0.37 -0.04 4.32 4.49 3husB1 THR 303 HG23 -0.19 -0.00 -0.12 -0.04 1.22 0.86 3husB1 ARG 304 H -0.01 0.35 0.09 -0.55 8.46 8.34 3husB1 ARG 304 HA -0.02 0.18 0.81 -0.75 4.34 4.56 3husB1 ARG 304 HB2 -0.00 -0.01 -0.01 -0.04 1.90 1.84 3husB1 ARG 304 HB3 -0.00 -0.04 0.10 -0.04 1.80 1.82 3husB1 ARG 304 HG2 -0.03 0.01 -0.07 -0.04 1.67 1.54 3husB1 ARG 304 HG3 -0.04 0.07 -0.14 -0.04 1.67 1.51 3husB1 ARG 304 HD2 -0.00 -0.01 -0.06 -0.04 3.22 3.11 3husB1 ARG 304 HD3 0.01 -0.04 -0.07 -0.04 3.22 3.07 3husB1 MET 305 H 0.01 0.25 -0.12 -0.55 8.47 8.06 3husB1 MET 305 HA 0.01 0.05 0.60 -0.75 4.52 4.43 3husB1 MET 305 HB2 0.02 0.06 0.01 -0.04 2.15 2.19 3husB1 MET 305 HB3 0.01 -0.04 0.00 -0.04 2.03 1.96 3husB1 MET 305 HG2 0.02 -0.05 0.04 -0.04 2.63 2.60 3husB1 MET 305 HG3 0.02 0.11 0.02 -0.04 2.56 2.67 3husB1 MET 305 HE3 0.01 0.02 0.06 -0.04 2.10 2.15 3husB1 GLY 306 H 0.01 0.31 -0.37 -0.55 8.43 7.82 3husB1 GLY 306 HA2 0.01 0.03 0.19 -0.51 4.01 3.73 3husB1 GLY 306 HA3 0.02 0.06 0.40 -0.51 4.01 3.98 3husB1 PRO 307 HA 0.01 0.06 0.62 -0.51 4.44 4.63 3husB1 PRO 307 HB2 0.13 0.01 0.03 -0.04 2.28 2.41 3husB1 PRO 307 HB3 0.05 0.01 0.09 -0.04 2.02 2.14 3husB1 PRO 307 HG2 0.06 -0.12 0.09 -0.04 2.03 2.02 3husB1 PRO 307 HG3 0.05 0.16 0.03 -0.04 2.03 2.23 3husB1 PRO 307 HD2 0.03 0.09 0.21 -0.04 3.68 3.97 3husB1 PRO 307 HD3 0.03 0.12 0.12 -0.04 3.65 3.88 3husB1 THR 308 H 0.01 0.18 0.36 -0.55 8.28 8.29 3husB1 THR 308 HA 0.08 0.15 1.07 -0.75 4.39 4.93 3husB1 THR 308 HB 0.09 0.13 0.26 -0.04 4.32 4.75 3husB1 THR 308 HG23 0.13 0.01 -0.04 -0.04 1.22 1.28 3husB1 GLU 309 H 0.11 0.68 0.38 -0.55 8.60 9.21 3husB1 GLU 309 HA -0.00 0.20 0.83 -0.75 4.29 4.57 3husB1 GLU 309 HB2 -0.04 0.04 0.12 -0.04 2.09 2.17 3husB1 GLU 309 HB3 -0.02 0.05 0.12 -0.04 1.99 2.09 3husB1 GLU 309 HG2 0.13 0.27 0.09 -0.04 2.34 2.79 3husB1 GLU 309 HG3 0.39 -0.11 -0.13 -0.04 2.34 2.44 3husB1 LEU 310 H -0.07 0.57 0.29 -0.55 8.37 8.61 3husB1 LEU 310 HA -0.02 0.28 1.07 -0.75 4.35 4.93 3husB1 LEU 310 HB2 -0.75 0.04 -0.07 -0.04 1.64 0.83 3husB1 LEU 310 HB3 -0.22 -0.07 0.12 -0.04 1.64 1.43 3husB1 LEU 310 HG -0.21 -0.02 -0.24 -0.04 1.64 1.13 3husB1 LEU 310 HD13 -0.58 0.03 -0.08 -0.04 0.93 0.26 3husB1 LEU 310 HD23 -0.77 -0.02 -0.08 -0.04 0.89 -0.03 3husB1 LEU 311 H -0.08 0.71 0.37 -0.55 8.37 8.83 3husB1 LEU 311 HA -0.14 0.15 1.02 -0.75 4.35 4.63 3husB1 LEU 311 HB2 -0.44 0.05 -0.08 -0.04 1.64 1.13 3husB1 LEU 311 HB3 -0.88 0.04 0.12 -0.04 1.64 0.87 3husB1 LEU 311 HG -0.45 -0.06 -0.29 -0.04 1.64 0.80 3husB1 LEU 311 HD13 -0.14 -0.01 -0.13 -0.04 0.93 0.61 3husB1 LEU 311 HD23 -1.16 0.00 -0.13 -0.04 0.89 -0.45 3husB1 ILE 312 H -0.10 0.76 0.31 -0.55 8.25 8.67 3husB1 ILE 312 HA -0.12 0.38 1.21 -0.75 4.18 4.89 3husB1 ILE 312 HB -0.16 -0.10 0.26 -0.04 1.89 1.85 3husB1 ILE 312 HG12 0.09 0.02 -0.04 -0.04 1.49 1.51 3husB1 ILE 312 HG13 0.03 -0.03 -0.17 -0.04 1.21 1.00 3husB1 ILE 312 HG23 -0.13 0.00 -0.11 -0.04 0.93 0.66 3husB1 ILE 312 HD13 0.42 -0.02 -0.05 -0.04 0.88 1.19 3husB1 GLU 313 H -0.19 0.56 0.32 -0.55 8.60 8.75 3husB1 GLU 313 HA -0.30 0.18 1.10 -0.75 4.29 4.52 3husB1 GLU 313 HB2 -0.19 -0.01 0.09 -0.04 2.09 1.94 3husB1 GLU 313 HB3 -0.20 0.04 -0.01 -0.04 1.99 1.78 3husB1 GLU 313 HG2 -0.25 -0.00 -0.08 -0.04 2.34 1.97 3husB1 GLU 313 HG3 -0.28 -0.04 -0.27 -0.04 2.34 1.70 3husB1 MET 314 H -0.34 0.52 0.37 -0.55 8.47 8.48 3husB1 MET 314 HA -0.14 0.22 0.74 -0.75 4.52 4.58 3husB1 MET 314 HB2 -0.06 0.09 0.11 -0.04 2.15 2.26 3husB1 MET 314 HB3 -0.23 -0.02 -0.15 -0.04 2.03 1.58 3husB1 MET 314 HG2 -0.58 0.06 0.04 -0.04 2.63 2.10 3husB1 MET 314 HG3 -0.47 -0.03 -0.16 -0.04 2.56 1.86 3husB1 MET 314 HE3 -1.27 -0.01 -0.21 -0.04 2.10 0.57 3husB1 GLU 315 H -0.04 0.60 0.33 -0.55 8.60 8.94 3husB1 GLU 315 HA 0.01 0.31 0.98 -0.75 4.29 4.84 3husB1 GLU 315 HB2 -0.09 -0.02 -0.16 -0.04 2.09 1.77 3husB1 GLU 315 HB3 -0.10 -0.06 0.10 -0.04 1.99 1.89 3husB1 GLU 315 HG2 -0.00 -0.01 -0.05 -0.04 2.34 2.24 3husB1 GLU 315 HG3 -0.02 0.10 -0.23 -0.04 2.34 2.16 3husB1 ASP 316 H 0.39 0.34 0.21 -0.55 8.40 8.79 3husB1 ASP 316 HA 0.36 0.14 0.72 -0.75 4.63 5.10 3husB1 ASP 316 HB2 0.33 -0.04 0.21 -0.04 2.71 3.16 3husB1 ASP 316 HB3 0.18 0.10 0.08 -0.04 2.70 3.02 3husB1 TRP 317 H 0.57 0.22 0.15 -0.55 7.97 8.37 3husB1 TRP 317 HA -0.03 0.20 0.68 -0.75 4.62 4.73 3husB1 TRP 317 HB2 0.04 0.05 0.19 -0.04 3.23 3.47 3husB1 TRP 317 HB3 -0.09 0.02 0.25 -0.04 3.23 3.37 3husB1 TRP 317 HD1 -0.22 -0.06 0.06 -0.04 7.22 6.96 3husB1 TRP 317 HE1 -0.38 0.28 -0.38 -0.04 10.20 9.67 3husB1 TRP 317 HE3 -0.38 0.04 0.07 -0.04 7.59 7.28 3husB1 TRP 317 HZ2 -0.78 0.23 -0.11 -0.04 7.44 6.74 3husB1 TRP 317 HZ3 -1.69 0.04 0.03 -0.04 7.13 5.47 3husB1 TRP 317 HH2 -1.70 0.04 -0.01 -0.04 7.19 5.48 3husB1 LYS 318 H 0.14 -0.17 -0.35 -0.55 8.42 7.49 3husB1 LYS 318 HA 0.09 0.24 0.63 -0.75 4.32 4.53 3husB1 LYS 318 HB2 0.06 0.04 0.16 -0.04 1.87 2.10 3husB1 LYS 318 HB3 0.10 0.10 -0.08 -0.04 1.79 1.87 3husB1 LYS 318 HG2 0.08 -0.11 -0.04 -0.04 1.46 1.35 3husB1 LYS 318 HG3 0.07 -0.04 -0.15 -0.04 1.46 1.29 3husB1 LYS 318 HD2 0.03 0.03 -0.01 -0.04 1.69 1.70 3husB1 LYS 318 HD3 0.02 0.03 -0.03 -0.04 1.68 1.67 3husB1 LYS 318 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.90 3husB1 LYS 318 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 3husB1 GLY 319 H 0.07 -0.02 -0.03 -0.55 8.43 7.92 3husB1 GLY 319 HA2 0.01 0.07 0.23 -0.51 4.01 3.81 3husB1 GLY 319 HA3 0.03 0.25 0.76 -0.51 4.01 4.54 3husB1 ASP 320 H 0.13 -0.05 -0.02 -0.55 8.40 7.92 3husB1 ASP 320 HA 0.09 0.12 0.50 -0.75 4.63 4.58 3husB1 ASP 320 HB2 0.37 -0.12 0.10 -0.04 2.71 3.03 3husB1 ASP 320 HB3 0.38 0.09 -0.03 -0.04 2.70 3.10 3husB1 LYS 321 H -0.01 0.19 0.25 -0.55 8.42 8.30 3husB1 LYS 321 HA -0.19 0.29 1.11 -0.75 4.32 4.78 3husB1 LYS 321 HB2 -0.09 -0.04 0.14 -0.04 1.87 1.84 3husB1 LYS 321 HB3 -0.15 0.01 0.03 -0.04 1.79 1.63 3husB1 LYS 321 HG2 -0.08 0.01 -0.09 -0.04 1.46 1.26 3husB1 LYS 321 HG3 -0.04 0.14 -0.15 -0.04 1.46 1.37 3husB1 LYS 321 HD2 -0.05 -0.02 0.01 -0.04 1.69 1.58 3husB1 LYS 321 HD3 -0.08 -0.03 -0.03 -0.04 1.68 1.49 3husB1 LYS 321 HE2 -0.03 0.10 -0.00 -0.04 2.99 3.02 3husB1 LYS 321 HE3 -0.04 -0.03 -0.01 -0.04 2.99 2.87 3husB1 VAL 322 H -0.52 0.54 0.35 -0.55 8.24 8.06 3husB1 VAL 322 HA -0.36 0.15 0.77 -0.75 4.13 3.93 3husB1 VAL 322 HB -0.67 -0.12 -0.05 -0.04 2.12 1.24 3husB1 VAL 322 HG13 -0.61 0.03 -0.18 -0.04 0.97 0.17 3husB1 VAL 322 HG23 -1.87 0.01 -0.09 -0.04 0.95 -1.04 3husB1 LYS 323 H -0.31 0.05 0.28 -0.55 8.42 7.89 3husB1 LYS 323 HA -0.34 0.37 1.17 -0.75 4.32 4.77 3husB1 LYS 323 HB2 -0.21 0.07 0.02 -0.04 1.87 1.70 3husB1 LYS 323 HB3 -0.23 0.05 -0.09 -0.04 1.79 1.48 3husB1 LYS 323 HG2 -0.19 -0.03 0.10 -0.04 1.46 1.29 3husB1 LYS 323 HG3 -0.19 -0.12 0.05 -0.04 1.46 1.15 3husB1 LYS 323 HD2 -0.17 0.01 -0.05 -0.04 1.69 1.44 3husB1 LYS 323 HD3 -0.18 0.06 -0.07 -0.04 1.68 1.45 3husB1 LYS 323 HE2 -0.16 0.01 -0.08 -0.04 2.99 2.72 3husB1 LYS 323 HE3 -0.14 -0.00 -0.04 -0.04 2.99 2.77 3husB1 ALA 324 H -0.25 0.74 0.33 -0.55 8.40 8.68 3husB1 ALA 324 HA -0.07 0.04 0.88 -0.75 4.34 4.44 3husB1 ALA 324 HB3 -0.05 -0.00 0.09 -0.04 1.41 1.40 3husB1 HIS 325 H -0.24 0.60 0.34 -0.55 8.41 8.56 3husB1 HIS 325 HA -0.07 0.30 1.12 -0.75 4.63 5.23 3husB1 HIS 325 HB2 -0.17 -0.14 0.03 -0.04 3.26 2.93 3husB1 HIS 325 HB3 -0.20 0.02 0.15 -0.04 3.20 3.12 3husB1 HIS 325 HD2 -0.14 -0.12 -0.05 -0.04 6.97 6.62 3husB1 HIS 325 HE1 0.23 0.02 -0.12 -0.04 7.75 7.84 3husB1 TYR 326 H -0.27 0.81 0.42 -0.55 8.29 8.71 3husB1 TYR 326 HA -0.01 0.26 0.97 -0.75 4.56 5.02 3husB1 TYR 326 HB2 -0.10 -0.04 0.14 -0.04 3.06 3.02 3husB1 TYR 326 HB3 -0.01 0.12 0.06 -0.04 2.98 3.11 3husB1 TYR 326 HD2 0.05 0.07 -0.24 -0.04 7.15 6.99 3husB1 TYR 326 HE2 0.22 -0.04 -0.12 -0.04 6.85 6.86 3husB1 GLY 327 H -0.01 0.58 0.46 -0.55 8.43 8.91 3husB1 GLY 327 HA2 -0.34 0.02 0.46 -0.51 4.01 3.63 3husB1 GLY 327 HA3 -0.29 -0.04 0.40 -0.51 4.01 3.57 3husB1 GLY 328 H -0.04 0.36 0.12 -0.55 8.43 8.32 3husB1 GLY 328 HA2 -0.09 0.27 0.94 -0.51 4.01 4.61 3husB1 GLY 328 HA3 -0.06 -0.08 0.28 -0.51 4.01 3.64 3husB1 PHE 329 H 0.04 0.44 0.27 -0.55 8.34 8.54 3husB1 PHE 329 HA -0.13 0.23 0.92 -0.75 4.62 4.89 3husB1 PHE 329 HB2 -0.07 -0.07 -0.14 -0.04 3.15 2.83 3husB1 PHE 329 HB3 -0.04 0.12 -0.11 -0.04 3.06 2.98 3husB1 PHE 329 HD2 -0.13 0.04 -0.11 -0.04 7.28 7.03 3husB1 PHE 329 HE2 -0.26 -0.02 -0.15 -0.04 7.38 6.92 3husB1 PHE 329 HZ -0.03 -0.03 -0.15 -0.04 7.32 7.07 3husB1 THR 330 H -0.35 0.53 0.29 -0.55 8.28 8.20 3husB1 THR 330 HA -0.41 0.20 0.91 -0.75 4.39 4.34 3husB1 THR 330 HB -0.15 -0.01 -0.12 -0.04 4.32 4.00 3husB1 THR 330 HG23 -0.10 0.04 -0.11 -0.04 1.22 1.01 3husB1 VAL 331 H -0.31 0.26 0.10 -0.55 8.24 7.73 3husB1 VAL 331 HA -0.17 0.36 0.86 -0.75 4.13 4.43 3husB1 VAL 331 HB -0.06 -0.03 -0.04 -0.04 2.12 1.94 3husB1 VAL 331 HG13 0.36 0.07 -0.25 -0.04 0.97 1.11 3husB1 VAL 331 HG23 -0.41 -0.02 -0.23 -0.04 0.95 0.24 3husB1 GLN 332 H 0.05 0.50 0.09 -0.55 8.47 8.56 3husB1 GLN 332 HA 0.03 0.10 0.46 -0.75 4.36 4.19 3husB1 GLN 332 HB2 0.09 -0.14 0.09 -0.04 2.15 2.16 3husB1 GLN 332 HB3 0.05 -0.14 0.14 -0.04 2.02 2.03 3husB1 GLN 332 HG2 -0.01 0.21 0.00 -0.04 2.40 2.56 3husB1 GLN 332 HG3 0.03 0.02 0.01 -0.04 2.39 2.40 3husB1 GLN 332 HE21 -0.04 0.01 -0.13 -0.04 6.97 6.78 3husB1 GLN 332 HE22 -0.06 0.07 -0.19 -0.04 7.69 7.48 3husB1 ASN 333 H 0.03 0.09 0.12 -0.55 8.53 8.23 3husB1 ASN 333 HA 0.12 0.26 0.52 -0.75 4.76 4.90 3husB1 ASN 333 HB2 0.01 -0.14 0.24 -0.04 2.88 2.95 3husB1 ASN 333 HB3 0.04 0.13 0.13 -0.04 2.79 3.06 3husB1 ASN 333 HD21 0.01 0.06 0.02 -0.04 7.03 7.08 3husB1 ASN 333 HD22 0.02 0.07 0.05 -0.04 7.74 7.84 3husB1 GLU 334 H -0.09 0.21 0.16 -0.55 8.60 8.33 3husB1 GLU 334 HA -0.99 0.11 0.40 -0.75 4.29 3.05 3husB1 GLU 334 HB2 0.01 0.04 0.12 -0.04 2.09 2.22 3husB1 GLU 334 HB3 -0.00 0.02 0.06 -0.04 1.99 2.03 3husB1 GLU 334 HG2 0.15 0.03 -0.03 -0.04 2.34 2.44 3husB1 GLU 334 HG3 0.30 0.01 0.03 -0.04 2.34 2.65 3husB1 ALA 335 H -0.05 0.05 -0.14 -0.55 8.40 7.71 3husB1 ALA 335 HA -0.02 0.14 0.44 -0.75 4.34 4.14 3husB1 ALA 335 HB3 -0.01 0.01 0.05 -0.04 1.41 1.42 3husB1 ASN 336 H -0.03 0.11 -0.49 -0.55 8.53 7.57 3husB1 ASN 336 HA 0.07 0.26 0.78 -0.75 4.76 5.12 3husB1 ASN 336 HB2 0.07 -0.09 0.02 -0.04 2.88 2.84 3husB1 ASN 336 HB3 0.16 0.06 0.14 -0.04 2.79 3.11 3husB1 ASN 336 HD21 0.02 0.06 -0.09 -0.04 7.03 6.98 3husB1 ASN 336 HD22 0.02 -0.16 -0.08 -0.04 7.74 7.47 3husB1 LYS 337 H -0.02 0.37 -0.48 -0.55 8.42 7.74 3husB1 LYS 337 HA 0.20 0.05 0.27 -0.75 4.32 4.09 3husB1 LYS 337 HB2 0.20 0.13 -0.15 -0.04 1.87 2.01 3husB1 LYS 337 HB3 0.31 0.02 0.19 -0.04 1.79 2.26 3husB1 LYS 337 HG2 -0.09 -0.02 0.00 -0.04 1.46 1.31 3husB1 LYS 337 HG3 -0.08 0.01 -0.16 -0.04 1.46 1.18 3husB1 LYS 337 HD2 -0.32 0.03 -0.01 -0.04 1.69 1.36 3husB1 LYS 337 HD3 -0.26 -0.02 -0.03 -0.04 1.68 1.34 3husB1 LYS 337 HE2 -0.31 -0.00 -0.09 -0.04 2.99 2.55 3husB1 LYS 337 HE3 -0.95 0.04 -0.14 -0.04 2.99 1.89 3husB1 TYR 338 H -0.13 0.40 -0.33 -0.55 8.29 7.68 3husB1 TYR 338 HA 0.20 0.28 0.10 -0.75 4.56 4.38 3husB1 TYR 338 HB2 0.21 0.01 0.07 -0.04 3.06 3.30 3husB1 TYR 338 HB3 0.21 -0.00 0.04 -0.04 2.98 3.19 3husB1 TYR 338 HD2 -0.06 0.21 -0.15 -0.04 7.15 7.10 3husB1 TYR 338 HE2 -0.26 -0.01 -0.15 -0.04 6.85 6.38 3husB1 GLN 339 H 0.23 0.02 -0.13 -0.55 8.47 8.05 3husB1 GLN 339 HA 0.16 0.27 0.55 -0.75 4.36 4.59 3husB1 GLN 339 HB2 0.13 0.18 0.02 -0.04 2.15 2.43 3husB1 GLN 339 HB3 0.00 -0.14 0.04 -0.04 2.02 1.88 3husB1 GLN 339 HG2 -0.23 0.06 -0.22 -0.04 2.40 1.96 3husB1 GLN 339 HG3 -0.62 0.06 -0.37 -0.04 2.39 1.42 3husB1 GLN 339 HE21 -0.15 -0.07 -0.02 -0.04 6.97 6.69 3husB1 GLN 339 HE22 -0.32 0.12 -0.05 -0.04 7.69 7.41 3husB1 ILE 340 H -0.23 0.49 0.31 -0.55 8.25 8.27 3husB1 ILE 340 HA -0.44 0.18 0.74 -0.75 4.18 3.90 3husB1 ILE 340 HB -2.25 0.03 0.09 -0.04 1.89 -0.28 3husB1 ILE 340 HG12 -0.48 -0.09 -0.19 -0.04 1.49 0.69 3husB1 ILE 340 HG13 -0.68 0.03 -0.04 -0.04 1.21 0.48 3husB1 ILE 340 HG23 -0.58 0.01 0.14 -0.04 0.93 0.46 3husB1 ILE 340 HD13 -1.22 -0.01 -0.08 -0.04 0.88 -0.47 3husB1 SER 341 H -0.34 0.43 0.27 -0.55 8.46 8.27 3husB1 SER 341 HA -0.16 0.03 0.74 -0.75 4.49 4.34 3husB1 SER 341 HB2 -0.13 0.07 -0.08 -0.04 3.95 3.77 3husB1 SER 341 HB3 -0.16 0.02 0.14 -0.04 3.93 3.89 3husB1 VAL 342 H -0.11 0.19 0.13 -0.55 8.24 7.89 3husB1 VAL 342 HA -0.02 0.47 1.09 -0.75 4.13 4.93 3husB1 VAL 342 HB -0.36 -0.02 -0.02 -0.04 2.12 1.67 3husB1 VAL 342 HG13 -0.21 0.01 -0.11 -0.04 0.97 0.62 3husB1 VAL 342 HG23 -0.21 -0.04 -0.10 -0.04 0.95 0.56 3husB1 ASN 343 H 0.09 0.61 0.33 -0.55 8.53 9.01 3husB1 ASN 343 HA 0.12 0.06 0.52 -0.75 4.76 4.71 3husB1 ASN 343 HB2 0.03 -0.07 0.15 -0.04 2.88 2.95 3husB1 ASN 343 HB3 0.02 0.14 -0.09 -0.04 2.79 2.82 3husB1 ASN 343 HD21 -0.03 0.01 -0.12 -0.04 7.03 6.85 3husB1 ASN 343 HD22 -0.02 -0.04 -0.39 -0.04 7.74 7.25 3husB1 LYS 344 H 0.08 0.16 0.17 -0.55 8.42 8.28 3husB1 LYS 344 HA 0.05 0.07 0.44 -0.75 4.32 4.13 3husB1 LYS 344 HB2 -0.05 -0.05 0.25 -0.04 1.87 1.98 3husB1 LYS 344 HB3 -0.02 0.09 0.19 -0.04 1.79 2.02 3husB1 LYS 344 HG2 0.01 0.05 0.06 -0.04 1.46 1.54 3husB1 LYS 344 HG3 -0.01 -0.06 -0.10 -0.04 1.46 1.25 3husB1 LYS 344 HD2 -0.06 0.04 0.01 -0.04 1.69 1.64 3husB1 LYS 344 HD3 -0.02 0.04 -0.02 -0.04 1.68 1.64 3husB1 LYS 344 HE2 -0.10 -0.01 -0.13 -0.04 2.99 2.71 3husB1 LYS 344 HE3 -0.24 -0.15 -0.14 -0.04 2.99 2.41 3husB1 TYR 345 H 0.17 0.04 0.12 -0.55 8.29 8.07 3husB1 TYR 345 HA -0.36 0.32 0.72 -0.75 4.56 4.49 3husB1 TYR 345 HB2 -0.06 -0.06 0.02 -0.04 3.06 2.92 3husB1 TYR 345 HB3 -0.02 -0.01 0.11 -0.04 2.98 3.02 3husB1 TYR 345 HD2 -0.46 0.05 -0.10 -0.04 7.15 6.60 3husB1 TYR 345 HE2 -0.02 0.04 -0.15 -0.04 6.85 6.68 3husB1 ARG 346 H -0.84 0.60 0.36 -0.55 8.46 8.04 3husB1 ARG 346 HA -0.54 0.05 0.57 -0.75 4.34 3.66 3husB1 ARG 346 HB2 -0.15 0.12 -0.08 -0.04 1.90 1.74 3husB1 ARG 346 HB3 -0.13 0.02 0.00 -0.04 1.80 1.65 3husB1 ARG 346 HG2 -0.19 -0.05 -0.18 -0.04 1.67 1.22 3husB1 ARG 346 HG3 -0.17 -0.02 0.07 -0.04 1.67 1.50 3husB1 ARG 346 HD2 -0.09 -0.01 -0.03 -0.04 3.22 3.05 3husB1 ARG 346 HD3 -0.06 0.02 -0.01 -0.04 3.22 3.13 3husB1 GLY 347 H -0.40 0.31 0.21 -0.55 8.43 8.00 3husB1 GLY 347 HA2 -0.22 0.05 0.30 -0.51 4.01 3.64 3husB1 GLY 347 HA3 -0.28 0.12 0.79 -0.51 4.01 4.14 3husB1 THR 348 H -0.16 0.30 0.43 -0.55 8.28 8.30 3husB1 THR 348 HA -0.01 0.25 1.00 -0.75 4.39 4.87 3husB1 THR 348 HB -0.09 0.08 0.13 -0.04 4.32 4.39 3husB1 THR 348 HG23 -0.07 0.01 -0.06 -0.04 1.22 1.06 3husB1 ALA 349 H -0.16 0.36 0.26 -0.55 8.40 8.31 3husB1 ALA 349 HA -0.38 0.11 0.36 -0.75 4.34 3.67 3husB1 ALA 349 HB3 -0.61 -0.02 -0.16 -0.04 1.41 0.58 3husB1 GLY 350 H 0.30 -0.04 -0.31 -0.55 8.43 7.83 3husB1 GLY 350 HA2 0.23 0.03 0.22 -0.51 4.01 3.97 3husB1 GLY 350 HA3 0.34 0.27 0.69 -0.51 4.01 4.79 3husB1 ASN 351 H -0.15 0.23 0.04 -0.55 8.53 8.10 3husB1 ASN 351 HA -0.22 0.03 0.56 -0.75 4.76 4.37 3husB1 ASN 351 HB2 -1.17 0.07 0.09 -0.04 2.88 1.82 3husB1 ASN 351 HB3 -0.28 0.09 0.20 -0.04 2.79 2.76 3husB1 ASN 351 HD21 0.02 0.03 -0.01 -0.04 7.03 7.03 3husB1 ASN 351 HD22 -0.22 0.11 0.01 -0.04 7.74 7.61 3husB1 ALA 352 H 0.14 0.26 0.21 -0.55 8.40 8.46 3husB1 ALA 352 HA -0.16 0.37 0.63 -0.75 4.34 4.43 3husB1 ALA 352 HB3 -0.92 -0.01 -0.14 -0.04 1.41 0.29 3husB1 LEU 353 H 0.13 0.02 0.04 -0.55 8.37 8.01 3husB1 LEU 353 HA 0.21 0.17 0.56 -0.75 4.35 4.54 3husB1 LEU 353 HB2 -0.12 -0.04 0.04 -0.04 1.64 1.49 3husB1 LEU 353 HB3 -0.11 0.07 -0.04 -0.04 1.64 1.52 3husB1 LEU 353 HG 0.18 -0.09 0.01 -0.04 1.64 1.69 3husB1 LEU 353 HD13 -0.35 0.03 -0.07 -0.04 0.93 0.50 3husB1 LEU 353 HD23 0.11 0.03 -0.06 -0.04 0.89 0.92 3husB1 MET 354 H 0.09 -0.06 -0.10 -0.55 8.47 7.85 3husB1 MET 354 HA 0.00 0.20 0.71 -0.75 4.52 4.68 3husB1 MET 354 HB2 0.09 -0.12 0.05 -0.04 2.15 2.13 3husB1 MET 354 HB3 0.04 0.10 -0.05 -0.04 2.03 2.07 3husB1 MET 354 HG2 0.03 0.10 -0.04 -0.04 2.63 2.67 3husB1 MET 354 HG3 0.19 -0.11 -0.14 -0.04 2.56 2.46 3husB1 MET 354 HE3 0.22 -0.06 -0.02 -0.04 2.10 2.19 3husB1 ASP 355 H -0.03 -0.07 -0.17 -0.55 8.40 7.58 3husB1 ASP 355 HA -0.03 0.18 0.60 -0.75 4.63 4.63 3husB1 ASP 355 HB2 -0.07 0.25 0.11 -0.04 2.71 2.95 3husB1 ASP 355 HB3 -0.04 0.03 -0.05 -0.04 2.70 2.61 3husB1 GLY 356 H -0.05 -0.06 -0.16 -0.55 8.43 7.61 3husB1 GLY 356 HA2 -0.09 0.20 0.12 -0.51 4.01 3.73 3husB1 GLY 356 HA3 -0.08 0.30 0.68 -0.51 4.01 4.41 3husB1 ALA 357 H -0.09 0.18 0.09 -0.55 8.40 8.03 3husB1 ALA 357 HA -0.07 0.01 0.53 -0.75 4.34 4.06 3husB1 ALA 357 HB3 -0.09 0.00 0.03 -0.04 1.41 1.31 3husB1 SER 358 H -0.01 0.11 0.05 -0.55 8.46 8.06 3husB1 SER 358 HA -0.01 0.18 0.40 -0.75 4.49 4.31 3husB1 SER 358 HB2 0.04 0.01 0.05 -0.04 3.95 4.01 3husB1 SER 358 HB3 0.03 0.03 0.02 -0.04 3.93 3.97 3husB1 GLN 359 H -0.01 0.02 -0.16 -0.55 8.47 7.76 3husB1 GLN 359 HA -0.00 0.19 0.50 -0.75 4.36 4.29 3husB1 GLN 359 HB2 -0.00 0.02 0.14 -0.04 2.15 2.26 3husB1 GLN 359 HB3 0.00 0.03 0.02 -0.04 2.02 2.03 3husB1 GLN 359 HG2 -0.03 0.01 -0.18 -0.04 2.40 2.16 3husB1 GLN 359 HG3 -0.01 -0.00 -0.02 -0.04 2.39 2.32 3husB1 GLN 359 HE21 0.00 0.11 0.07 -0.04 6.97 7.11 3husB1 GLN 359 HE22 -0.02 -0.06 0.03 -0.04 7.69 7.60 3husB1 LEU 360 H -0.03 0.31 -0.77 -0.55 8.37 7.33 3husB1 LEU 360 HA -0.03 0.16 0.85 -0.75 4.35 4.57 3husB1 LEU 360 HB2 -0.05 0.11 -0.18 -0.04 1.64 1.48 3husB1 LEU 360 HB3 -0.05 -0.12 -0.29 -0.04 1.64 1.14 3husB1 LEU 360 HG -0.06 -0.15 -0.38 -0.04 1.64 1.00 3husB1 LEU 360 HD13 -0.10 0.02 -0.18 -0.04 0.93 0.63 3husB1 LEU 360 HD23 -0.06 0.04 -0.10 -0.04 0.89 0.73 3husB1 MET 361 H -0.03 0.18 0.11 -0.55 8.47 8.19 3husB1 MET 361 HA -0.02 0.25 0.93 -0.75 4.52 4.93 3husB1 MET 361 HB2 -0.01 -0.02 0.06 -0.04 2.15 2.13 3husB1 MET 361 HB3 -0.01 0.00 0.01 -0.04 2.03 1.99 3husB1 MET 361 HG2 -0.01 -0.01 -0.37 -0.04 2.63 2.20 3husB1 MET 361 HG3 -0.01 0.01 -0.07 -0.04 2.56 2.45 3husB1 MET 361 HE3 -0.00 0.01 -0.06 -0.04 2.10 2.00 3husB1 GLY 362 H -0.02 0.23 0.14 -0.55 8.43 8.24 3husB1 GLY 362 HA2 -0.01 0.11 0.35 -0.51 4.01 3.94 3husB1 GLY 362 HA3 -0.02 0.04 0.45 -0.51 4.01 3.98 3husB1 GLU 363 H -0.02 0.19 0.25 -0.55 8.60 8.48 3husB1 GLU 363 HA -0.02 0.13 0.47 -0.75 4.29 4.11 3husB1 GLU 363 HB2 -0.01 0.00 0.15 -0.04 2.09 2.19 3husB1 GLU 363 HB3 -0.02 0.03 0.08 -0.04 1.99 2.04 3husB1 GLU 363 HG2 -0.02 0.00 -0.00 -0.04 2.34 2.28 3husB1 GLU 363 HG3 -0.01 0.02 0.05 -0.04 2.34 2.37 3husB1 ASN 364 H -0.04 0.23 -0.07 -0.55 8.53 8.11 3husB1 ASN 364 HA -0.07 0.13 0.36 -0.75 4.76 4.42 3husB1 ASN 364 HB2 -0.05 0.00 0.02 -0.04 2.88 2.82 3husB1 ASN 364 HB3 -0.07 0.03 -0.02 -0.04 2.79 2.69 3husB1 ASN 364 HD21 -0.03 0.01 0.04 -0.04 7.03 7.01 3husB1 ASN 364 HD22 -0.04 -0.02 0.06 -0.04 7.74 7.70 3husB1 ARG 365 H -0.04 0.12 -0.66 -0.55 8.46 7.33 3husB1 ARG 365 HA -0.07 0.01 0.49 -0.75 4.34 4.01 3husB1 ARG 365 HB2 -0.04 0.07 -0.27 -0.04 1.90 1.62 3husB1 ARG 365 HB3 -0.04 0.03 -0.13 -0.04 1.80 1.63 3husB1 ARG 365 HG2 -0.05 0.16 -0.11 -0.04 1.67 1.63 3husB1 ARG 365 HG3 -0.05 0.15 -0.07 -0.04 1.67 1.66 3husB1 ARG 365 HD2 -0.02 -0.10 -0.05 -0.04 3.22 3.00 3husB1 ARG 365 HD3 -0.03 0.03 -0.08 -0.04 3.22 3.10 3husB1 THR 366 H -0.04 0.17 -0.30 -0.55 8.28 7.56 3husB1 THR 366 HA -0.04 0.12 0.38 -0.75 4.39 4.10 3husB1 THR 366 HB -0.03 0.06 0.10 -0.04 4.32 4.41 3husB1 THR 366 HG23 -0.02 -0.00 0.02 -0.04 1.22 1.17 3husB1 MET 367 H -0.06 0.42 -0.24 -0.55 8.47 8.04 3husB1 MET 367 HA -0.05 0.14 0.49 -0.75 4.52 4.34 3husB1 MET 367 HB2 -0.09 -0.05 0.12 -0.04 2.15 2.10 3husB1 MET 367 HB3 -0.05 -0.02 0.06 -0.04 2.03 1.97 3husB1 MET 367 HG2 -0.09 0.03 0.08 -0.04 2.63 2.61 3husB1 MET 367 HG3 -0.13 0.11 -0.18 -0.04 2.56 2.31 3husB1 MET 367 HE3 -0.04 -0.04 -0.17 -0.04 2.10 1.80 3husB1 THR 368 H -0.10 0.32 -0.76 -0.55 8.28 7.19 3husB1 THR 368 HA -0.18 0.04 0.51 -0.75 4.39 4.00 3husB1 THR 368 HB -0.17 -0.18 -0.14 -0.04 4.32 3.79 3husB1 THR 368 HG23 -0.17 0.01 -0.18 -0.04 1.22 0.84 3husB1 ILE 369 H -0.11 0.29 -0.32 -0.55 8.25 7.56 3husB1 ILE 369 HA -0.10 -0.03 0.27 -0.75 4.18 3.57 3husB1 ILE 369 HB -0.06 0.11 0.08 -0.04 1.89 1.98 3husB1 ILE 369 HG12 -0.05 -0.04 -0.49 -0.04 1.49 0.87 3husB1 ILE 369 HG13 -0.07 0.05 -0.05 -0.04 1.21 1.10 3husB1 ILE 369 HG23 -0.04 -0.01 -0.09 -0.04 0.93 0.75 3husB1 ILE 369 HD13 -0.03 -0.01 0.06 -0.04 0.88 0.85 3husB1 HIS 370 H 0.02 0.28 0.30 -0.55 8.41 8.46 3husB1 HIS 370 HA 0.03 0.23 0.64 -0.75 4.63 4.77 3husB1 HIS 370 HB2 -0.00 -0.16 0.20 -0.04 3.26 3.26 3husB1 HIS 370 HB3 -0.01 -0.04 0.10 -0.04 3.20 3.20 3husB1 HIS 370 HD2 -0.00 0.11 -0.08 -0.04 6.97 6.95 3husB1 HIS 370 HE1 0.46 0.01 0.12 -0.04 7.75 8.31 3husB1 ASN 371 H -0.01 0.43 0.13 -0.55 8.53 8.53 3husB1 ASN 371 HA -0.13 -0.09 0.39 -0.75 4.76 4.17 3husB1 ASN 371 HB2 -0.05 -0.10 0.01 -0.04 2.88 2.70 3husB1 ASN 371 HB3 -0.04 0.07 0.18 -0.04 2.79 2.96 3husB1 ASN 371 HD21 -0.04 -0.00 0.04 -0.04 7.03 6.99 3husB1 ASN 371 HD22 -0.03 0.00 0.04 -0.04 7.74 7.72 3husB1 GLY 372 H -0.18 0.27 0.30 -0.55 8.43 8.27 3husB1 GLY 372 HA2 -0.18 0.06 0.39 -0.51 4.01 3.77 3husB1 GLY 372 HA3 -0.12 0.06 0.66 -0.51 4.01 4.10 3husB1 MET 373 H -0.14 0.23 0.16 -0.55 8.47 8.17 3husB1 MET 373 HA -0.18 0.15 0.91 -0.75 4.52 4.65 3husB1 MET 373 HB2 0.10 0.03 -0.01 -0.04 2.15 2.22 3husB1 MET 373 HB3 0.14 0.15 -0.03 -0.04 2.03 2.25 3husB1 MET 373 HG2 -0.01 -0.02 -0.48 -0.04 2.63 2.08 3husB1 MET 373 HG3 0.05 0.01 -0.20 -0.04 2.56 2.38 3husB1 MET 373 HE3 0.14 0.05 0.15 -0.04 2.10 2.39 3husB1 PHE 374 H 0.20 0.19 0.17 -0.55 8.34 8.35 3husB1 PHE 374 HA 0.36 0.12 0.56 -0.75 4.62 4.90 3husB1 PHE 374 HB2 0.17 0.15 0.08 -0.04 3.15 3.51 3husB1 PHE 374 HB3 0.24 0.06 0.12 -0.04 3.06 3.43 3husB1 PHE 374 HD2 0.13 0.14 0.03 -0.04 7.28 7.53 3husB1 PHE 374 HE2 0.06 -0.03 -0.01 -0.04 7.38 7.36 3husB1 PHE 374 HZ 0.04 -0.06 -0.02 -0.04 7.32 7.24 3husB1 PHE 375 H 0.66 0.64 0.25 -0.55 8.34 9.34 3husB1 PHE 375 HA -0.30 -0.01 0.42 -0.75 4.62 3.98 3husB1 PHE 375 HB2 0.04 0.22 0.16 -0.04 3.15 3.52 3husB1 PHE 375 HB3 0.23 -0.07 -0.04 -0.04 3.06 3.14 3husB1 PHE 375 HD2 -1.43 0.02 -0.19 -0.04 7.28 5.64 3husB1 PHE 375 HE2 -1.35 -0.03 -0.12 -0.04 7.38 5.83 3husB1 PHE 375 HZ -1.27 0.09 -0.14 -0.04 7.32 5.96 3husB1 SER 376 H -0.60 0.29 0.19 -0.55 8.46 7.79 3husB1 SER 376 HA 0.34 0.20 1.01 -0.75 4.49 5.28 3husB1 SER 376 HB2 0.25 0.02 0.23 -0.04 3.95 4.41 3husB1 SER 376 HB3 0.17 -0.03 0.18 -0.04 3.93 4.21 3husB1 THR 377 H 0.38 0.23 0.24 -0.55 8.28 8.57 3husB1 THR 377 HA 0.07 0.32 0.77 -0.75 4.39 4.79 3husB1 THR 377 HB 0.14 0.03 0.01 -0.04 4.32 4.46 3husB1 THR 377 HG23 0.07 0.04 -0.19 -0.04 1.22 1.09 3husB1 TYR 378 H 0.24 0.30 -0.02 -0.55 8.29 8.27 3husB1 TYR 378 HA 0.04 0.06 0.20 -0.75 4.56 4.12 3husB1 TYR 378 HB2 0.03 0.01 -0.00 -0.04 3.06 3.05 3husB1 TYR 378 HB3 0.05 0.13 -0.17 -0.04 2.98 2.94 3husB1 TYR 378 HD2 0.06 0.04 -0.17 -0.04 7.15 7.04 3husB1 TYR 378 HE2 0.05 -0.03 -0.23 -0.04 6.85 6.59 3husB1 ASP 379 H -0.13 -0.08 -0.53 -0.55 8.40 7.12 3husB1 ASP 379 HA -0.07 0.28 0.84 -0.75 4.63 4.93 3husB1 ASP 379 HB2 -0.10 0.07 0.13 -0.04 2.71 2.76 3husB1 ASP 379 HB3 -0.33 0.03 -0.03 -0.04 2.70 2.32 3husB1 ARG 380 H 0.03 0.32 -0.22 -0.55 8.46 8.04 3husB1 ARG 380 HA -0.14 0.19 0.85 -0.75 4.34 4.49 3husB1 ARG 380 HB2 -0.25 -0.09 -0.15 -0.04 1.90 1.37 3husB1 ARG 380 HB3 -0.03 -0.15 0.16 -0.04 1.80 1.74 3husB1 ARG 380 HG2 -1.44 -0.01 -0.04 -0.04 1.67 0.15 3husB1 ARG 380 HG3 -0.42 0.12 -0.20 -0.04 1.67 1.13 3husB1 ARG 380 HD2 -0.49 0.04 -0.01 -0.04 3.22 2.72 3husB1 ARG 380 HD3 -0.31 0.07 0.08 -0.04 3.22 3.02 3husB1 ASP 381 H -0.07 0.20 0.05 -0.55 8.40 8.03 3husB1 ASP 381 HA 0.04 -0.01 0.67 -0.75 4.63 4.58 3husB1 ASP 381 HB2 -0.02 0.01 0.03 -0.04 2.71 2.70 3husB1 ASP 381 HB3 -0.04 0.04 0.16 -0.04 2.70 2.82 3husB1 ASN 382 H 0.10 0.04 0.27 -0.55 8.53 8.40 3husB1 ASN 382 HA 0.01 0.19 0.77 -0.75 4.76 4.98 3husB1 ASN 382 HB2 0.19 0.17 -0.07 -0.04 2.88 3.13 3husB1 ASN 382 HB3 0.14 -0.03 0.09 -0.04 2.79 2.95 3husB1 ASN 382 HD21 -0.41 -0.11 -0.08 -0.04 7.03 6.38 3husB1 ASN 382 HD22 0.06 0.31 0.03 -0.04 7.74 8.10 3husB1 ASP 383 H 0.15 -0.13 0.14 -0.55 8.40 8.01 3husB1 ASP 383 HA 0.25 0.34 0.52 -0.75 4.63 4.98 3husB1 ASP 383 HB2 0.25 0.23 0.03 -0.04 2.71 3.19 3husB1 ASP 383 HB3 0.26 -0.06 0.09 -0.04 2.70 2.95 3husB1 GLY 384 H 0.19 0.27 0.19 -0.55 8.43 8.53 3husB1 GLY 384 HA2 0.16 0.12 0.53 -0.51 4.01 4.31 3husB1 GLY 384 HA3 0.14 0.01 0.38 -0.51 4.01 4.03 3husB1 TRP 385 H 0.29 0.12 -0.79 -0.55 7.97 7.05 3husB1 TRP 385 HA 0.02 0.12 0.82 -0.75 4.62 4.82 3husB1 TRP 385 HB2 0.02 0.14 0.02 -0.04 3.23 3.37 3husB1 TRP 385 HB3 0.01 -0.07 0.09 -0.04 3.23 3.22 3husB1 TRP 385 HD1 0.01 0.02 -0.02 -0.04 7.22 7.18 3husB1 TRP 385 HE1 -0.00 -0.03 -0.08 -0.04 10.20 10.05 3husB1 TRP 385 HE3 -0.03 -0.16 -0.28 -0.04 7.59 7.09 3husB1 TRP 385 HZ2 -0.00 -0.04 -0.09 -0.04 7.44 7.26 3husB1 TRP 385 HZ3 -0.04 0.13 -0.57 -0.04 7.13 6.62 3husB1 TRP 385 HH2 -0.01 -0.03 -0.16 -0.04 7.19 6.96 3husB1 LEU 386 H 0.22 0.19 0.04 -0.55 8.37 8.27 3husB1 LEU 386 HA -0.02 0.10 0.54 -0.75 4.35 4.22 3husB1 LEU 386 HB2 0.06 -0.03 0.14 -0.04 1.64 1.77 3husB1 LEU 386 HB3 0.00 -0.00 -0.01 -0.04 1.64 1.58 3husB1 LEU 386 HG 0.08 0.03 -0.11 -0.04 1.64 1.61 3husB1 LEU 386 HD13 0.05 -0.01 -0.01 -0.04 0.93 0.92 3husB1 LEU 386 HD23 0.02 0.01 -0.05 -0.04 0.89 0.83 3husB1 THR 387 H -0.16 0.33 0.25 -0.55 8.28 8.15 3husB1 THR 387 HA -0.18 0.07 0.60 -0.75 4.39 4.13 3husB1 THR 387 HB -0.74 0.09 -0.26 -0.04 4.32 3.36 3husB1 THR 387 HG23 -0.54 0.11 -0.14 -0.04 1.22 0.61 3husB1 SER 388 H -0.15 0.02 0.17 -0.55 8.46 7.96 3husB1 SER 388 HA -0.09 0.25 0.89 -0.75 4.49 4.78 3husB1 SER 388 HB2 -0.06 0.02 0.05 -0.04 3.95 3.92 3husB1 SER 388 HB3 -0.06 0.02 -0.00 -0.04 3.93 3.85 3husB1 ASP 389 H -0.15 -0.04 0.11 -0.55 8.40 7.77 3husB1 ASP 389 HA -0.07 0.16 0.54 -0.75 4.63 4.50 3husB1 ASP 389 HB2 -0.09 0.01 0.14 -0.04 2.71 2.73 3husB1 ASP 389 HB3 -0.15 -0.03 0.11 -0.04 2.70 2.58 3husB1 PRO 390 HA -0.07 0.15 0.32 -0.51 4.44 4.32 3husB1 PRO 390 HB2 -0.02 0.03 -0.05 -0.04 2.28 2.21 3husB1 PRO 390 HB3 -0.03 0.06 0.09 -0.04 2.02 2.10 3husB1 PRO 390 HG2 -0.02 -0.02 0.08 -0.04 2.03 2.02 3husB1 PRO 390 HG3 -0.02 0.06 0.08 -0.04 2.03 2.12 3husB1 PRO 390 HD2 -0.04 0.02 0.26 -0.04 3.68 3.87 3husB1 PRO 390 HD3 -0.05 0.29 0.26 -0.04 3.65 4.12 3husB1 ARG 391 H -0.05 0.06 -0.21 -0.55 8.46 7.70 3husB1 ARG 391 HA -0.02 0.12 0.47 -0.75 4.34 4.16 3husB1 ARG 391 HB2 -0.01 -0.03 0.00 -0.04 1.90 1.82 3husB1 ARG 391 HB3 0.02 0.03 -0.01 -0.04 1.80 1.80 3husB1 ARG 391 HG2 0.03 0.03 -0.01 -0.04 1.67 1.68 3husB1 ARG 391 HG3 0.01 -0.04 -0.00 -0.04 1.67 1.59 3husB1 ARG 391 HD2 0.04 0.01 -0.00 -0.04 3.22 3.22 3husB1 ARG 391 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.20 3husB1 LYS 392 H -0.15 0.09 -0.45 -0.55 8.42 7.36 3husB1 LYS 392 HA -0.07 0.12 0.36 -0.75 4.32 3.98 3husB1 LYS 392 HB2 -0.50 0.05 0.11 -0.04 1.87 1.49 3husB1 LYS 392 HB3 -0.99 0.03 0.04 -0.04 1.79 0.82 3husB1 LYS 392 HG2 -0.09 -0.11 -0.06 -0.04 1.46 1.15 3husB1 LYS 392 HG3 -0.15 -0.05 0.01 -0.04 1.46 1.23 3husB1 LYS 392 HD2 0.14 0.08 -0.10 -0.04 1.69 1.78 3husB1 LYS 392 HD3 0.07 -0.01 -0.08 -0.04 1.68 1.62 3husB1 LYS 392 HE2 0.22 0.02 -0.05 -0.04 2.99 3.14 3husB1 LYS 392 HE3 0.31 0.02 -0.06 -0.04 2.99 3.22 3husB1 GLN 393 H 0.01 0.56 -0.00 -0.55 8.47 8.49 3husB1 GLN 393 HA 0.07 0.19 0.78 -0.75 4.36 4.65 3husB1 GLN 393 HB2 0.01 0.02 -0.06 -0.04 2.15 2.08 3husB1 GLN 393 HB3 0.05 -0.21 0.02 -0.04 2.02 1.84 3husB1 GLN 393 HG2 -0.04 0.01 -0.09 -0.04 2.40 2.24 3husB1 GLN 393 HG3 -0.09 0.09 -0.50 -0.04 2.39 1.86 3husB1 GLN 393 HE21 -0.02 -0.06 -0.05 -0.04 6.97 6.79 3husB1 GLN 393 HE22 -0.05 0.03 -0.05 -0.04 7.69 7.58 3husB1 CYS 394 H 0.18 0.08 0.10 -0.55 8.50 8.31 3husB1 CYS 394 HA -0.04 0.17 0.50 -0.75 4.58 4.46 3husB1 CYS 394 HB2 -0.04 -0.04 0.06 -0.04 2.97 2.90 3husB1 CYS 394 HB3 -0.57 -0.01 -0.07 -0.04 2.97 2.28 3husB1 SER 395 H -0.04 -0.05 -0.06 -0.55 8.46 7.77 3husB1 SER 395 HA -0.08 0.16 0.44 -0.75 4.49 4.26 3husB1 SER 395 HB2 0.16 -0.10 -0.38 -0.04 3.95 3.59 3husB1 SER 395 HB3 0.15 0.12 -0.24 -0.04 3.93 3.92 3husB1 LYS 396 H 0.02 -0.04 -0.27 -0.55 8.42 7.59 3husB1 LYS 396 HA -0.05 0.12 0.56 -0.75 4.32 4.20 3husB1 LYS 396 HB2 -0.03 0.03 -0.02 -0.04 1.87 1.81 3husB1 LYS 396 HB3 -0.16 -0.01 0.06 -0.04 1.79 1.64 3husB1 LYS 396 HG2 0.04 -0.01 0.04 -0.04 1.46 1.49 3husB1 LYS 396 HG3 0.11 -0.09 0.00 -0.04 1.46 1.44 3husB1 LYS 396 HD2 0.01 0.09 0.03 -0.04 1.69 1.78 3husB1 LYS 396 HD3 -0.00 -0.04 0.03 -0.04 1.68 1.63 3husB1 LYS 396 HE2 0.16 -0.06 0.02 -0.04 2.99 3.07 3husB1 LYS 396 HE3 0.13 0.19 0.07 -0.04 2.99 3.33 3husB1 GLU 397 H -0.35 0.10 0.06 -0.55 8.60 7.86 3husB1 GLU 397 HA -0.12 -0.09 0.30 -0.75 4.29 3.63 3husB1 GLU 397 HB2 0.09 -0.16 0.06 -0.04 2.09 2.04 3husB1 GLU 397 HB3 -0.21 0.01 -0.10 -0.04 1.99 1.65 3husB1 GLU 397 HG2 0.02 0.64 -0.01 -0.04 2.34 2.95 3husB1 GLU 397 HG3 0.06 -0.15 -0.18 -0.04 2.34 2.02 3husB1 ASP 398 H -0.04 0.33 -1.40 -0.55 8.40 6.74 3husB1 ASP 398 HA 0.06 0.04 0.67 -0.75 4.63 4.64 3husB1 ASP 398 HB2 -0.19 0.53 0.01 -0.04 2.71 3.02 3husB1 ASP 398 HB3 -0.00 -0.35 0.11 -0.04 2.70 2.42 3husB1 GLY 399 H 0.05 0.08 0.06 -0.55 8.43 8.08 3husB1 GLY 399 HA2 0.06 -0.14 0.33 -0.51 4.01 3.75 3husB1 GLY 399 HA3 0.06 0.03 0.31 -0.51 4.01 3.90 3husB1 GLY 400 H 0.18 0.00 -0.12 -0.55 8.43 7.94 3husB1 GLY 400 HA2 0.17 0.07 0.51 -0.51 4.01 4.24 3husB1 GLY 400 HA3 0.22 0.25 0.64 -0.51 4.01 4.61 3husB1 GLY 401 H -0.06 0.25 0.23 -0.55 8.43 8.30 3husB1 GLY 401 HA2 -0.45 0.45 0.88 -0.51 4.01 4.37 3husB1 GLY 401 HA3 -1.40 -0.06 0.34 -0.51 4.01 2.38 3husB1 TRP 402 H -0.65 0.55 0.38 -0.55 7.97 7.70 3husB1 TRP 402 HA -1.28 0.08 0.56 -0.75 4.62 3.22 3husB1 TRP 402 HB2 -0.60 -0.01 -0.25 -0.04 3.23 2.33 3husB1 TRP 402 HB3 -1.61 0.03 -0.14 -0.04 3.23 1.47 3husB1 TRP 402 HD1 -0.51 0.03 -0.27 -0.04 7.22 6.43 3husB1 TRP 402 HE1 -1.09 -0.01 0.05 -0.04 10.20 9.11 3husB1 TRP 402 HE3 -0.26 0.14 0.11 -0.04 7.59 7.54 3husB1 TRP 402 HZ2 -0.05 -0.05 -0.04 -0.04 7.44 7.26 3husB1 TRP 402 HZ3 0.57 0.02 -0.04 -0.04 7.13 7.64 3husB1 TRP 402 HH2 0.36 -0.01 -0.05 -0.04 7.19 7.44 3husB1 TRP 403 H -1.72 0.11 0.08 -0.55 7.97 5.89 3husB1 TRP 403 HA -0.29 0.31 0.52 -0.75 4.62 4.40 3husB1 TRP 403 HB2 -0.76 -0.11 0.21 -0.04 3.23 2.52 3husB1 TRP 403 HB3 -0.22 0.15 0.03 -0.04 3.23 3.15 3husB1 TRP 403 HD1 0.04 0.20 -0.11 -0.04 7.22 7.31 3husB1 TRP 403 HE1 0.20 0.44 0.09 -0.04 10.20 10.89 3husB1 TRP 403 HE3 -2.41 -0.04 0.05 -0.04 7.59 5.15 3husB1 TRP 403 HZ2 0.13 0.01 -0.09 -0.04 7.44 7.45 3husB1 TRP 403 HZ3 -0.40 -0.03 -0.04 -0.04 7.13 6.62 3husB1 TRP 403 HH2 0.38 -0.01 -0.08 -0.04 7.19 7.44 3husB1 TYR 404 H 0.10 0.29 0.29 -0.55 8.29 8.42 3husB1 TYR 404 HA 0.34 0.16 0.54 -0.75 4.56 4.85 3husB1 TYR 404 HB2 0.12 -0.07 0.12 -0.04 3.06 3.19 3husB1 TYR 404 HB3 0.15 -0.03 -0.01 -0.04 2.98 3.05 3husB1 TYR 404 HD2 0.15 0.12 -0.10 -0.04 7.15 7.28 3husB1 TYR 404 HE2 -0.03 0.15 -0.09 -0.04 6.85 6.84 3husB1 ASN 405 H 0.23 0.74 0.18 -0.55 8.53 9.13 3husB1 ASN 405 HA 0.13 -0.06 0.86 -0.75 4.76 4.94 3husB1 ASN 405 HB2 -0.01 0.19 -0.15 -0.04 2.88 2.87 3husB1 ASN 405 HB3 -0.06 -0.06 -0.04 -0.04 2.79 2.59 3husB1 ASN 405 HD21 -0.02 -0.04 0.00 -0.04 7.03 6.93 3husB1 ASN 405 HD22 -0.07 0.09 -0.19 -0.04 7.74 7.53 3husB1 ARG 406 H -0.07 0.61 0.05 -0.55 8.46 8.49 3husB1 ARG 406 HA -0.31 0.06 0.57 -0.75 4.34 3.90 3husB1 ARG 406 HB2 -0.13 0.06 0.11 -0.04 1.90 1.89 3husB1 ARG 406 HB3 -0.35 -0.08 0.15 -0.04 1.80 1.49 3husB1 ARG 406 HG2 -0.24 -0.06 -0.04 -0.04 1.67 1.30 3husB1 ARG 406 HG3 0.03 0.09 -0.54 -0.04 1.67 1.20 3husB1 ARG 406 HD2 0.15 0.10 0.10 -0.04 3.22 3.53 3husB1 ARG 406 HD3 -0.02 -0.05 0.01 -0.04 3.22 3.12 3husB1 CYS 407 H -0.23 0.00 0.10 -0.55 8.50 7.82 3husB1 CYS 407 HA -0.05 0.08 -0.17 -0.75 4.58 3.69 3husB1 CYS 407 HB2 -0.10 0.03 0.02 -0.04 2.97 2.88 3husB1 CYS 407 HB3 -0.04 0.03 -0.13 -0.04 2.97 2.80 3husB1 HIS 408 H -0.17 0.18 0.17 -0.55 8.41 8.05 3husB1 HIS 408 HA 0.01 0.21 0.60 -0.75 4.63 4.69 3husB1 HIS 408 HB2 0.38 0.14 0.01 -0.04 3.26 3.75 3husB1 HIS 408 HB3 0.55 0.05 -0.32 -0.04 3.20 3.43 3husB1 HIS 408 HD2 0.07 -0.04 -0.16 -0.04 6.97 6.80 3husB1 HIS 408 HE1 -0.07 0.07 -0.14 -0.04 7.75 7.56 3husB1 ALA 409 H 0.27 0.23 0.20 -0.55 8.40 8.55 3husB1 ALA 409 HA -0.15 0.12 0.70 -0.75 4.34 4.26 3husB1 ALA 409 HB3 -0.11 0.03 0.01 -0.04 1.41 1.31 3husB1 ALA 410 H 0.61 0.14 0.15 -0.55 8.40 8.76 3husB1 ALA 410 HA -0.13 0.25 0.73 -0.75 4.34 4.43 3husB1 ALA 410 HB3 -0.68 -0.01 -0.02 -0.04 1.41 0.66 3husB1 ASN 411 H -0.15 0.74 0.17 -0.55 8.53 8.74 3husB1 ASN 411 HA -0.99 0.15 0.78 -0.75 4.76 3.95 3husB1 ASN 411 HB2 -1.07 0.01 -0.18 -0.04 2.88 1.60 3husB1 ASN 411 HB3 -0.38 0.18 0.24 -0.04 2.79 2.79 3husB1 ASN 411 HD21 -0.05 -0.37 0.08 -0.04 7.03 6.65 3husB1 ASN 411 HD22 -0.20 0.19 0.13 -0.04 7.74 7.82 3husB1 PRO 412 HA -0.15 0.10 0.46 -0.51 4.44 4.34 3husB1 PRO 412 HB2 -0.20 0.06 -0.12 -0.04 2.28 1.98 3husB1 PRO 412 HB3 -0.07 0.04 -0.05 -0.04 2.02 1.91 3husB1 PRO 412 HG2 -0.55 0.06 -0.05 -0.04 2.03 1.44 3husB1 PRO 412 HG3 -0.07 0.02 -0.08 -0.04 2.03 1.86 3husB1 PRO 412 HD2 -2.62 0.11 0.06 -0.04 3.68 1.18 3husB1 PRO 412 HD3 -1.20 0.13 -0.38 -0.04 3.65 2.17 3husB1 ASN 413 H -0.50 0.10 -0.25 -0.55 8.53 7.34 3husB1 ASN 413 HA -0.21 0.21 0.66 -0.75 4.76 4.67 3husB1 ASN 413 HB2 -0.02 -0.02 0.00 -0.04 2.88 2.80 3husB1 ASN 413 HB3 0.28 0.00 0.19 -0.04 2.79 3.23 3husB1 ASN 413 HD21 -0.81 -0.09 0.04 -0.04 7.03 6.14 3husB1 ASN 413 HD22 -0.02 0.50 0.24 -0.04 7.74 8.42 3husB1 GLY 414 H -0.14 0.24 -0.84 -0.55 8.43 7.14 3husB1 GLY 414 HA2 0.01 -0.07 0.48 -0.51 4.01 3.92 3husB1 GLY 414 HA3 -0.05 0.15 0.01 -0.51 4.01 3.61 3husB1 ARG 415 H 0.03 -0.03 0.10 -0.55 8.46 8.02 3husB1 ARG 415 HA 0.02 0.08 0.48 -0.75 4.34 4.17 3husB1 ARG 415 HB2 -0.08 -0.04 -0.07 -0.04 1.90 1.67 3husB1 ARG 415 HB3 -0.30 0.08 -0.09 -0.04 1.80 1.45 3husB1 ARG 415 HG2 0.03 -0.00 -0.00 -0.04 1.67 1.65 3husB1 ARG 415 HG3 0.04 -0.01 -0.08 -0.04 1.67 1.58 3husB1 ARG 415 HD2 -0.03 -0.02 0.01 -0.04 3.22 3.13 3husB1 ARG 415 HD3 0.00 0.09 0.01 -0.04 3.22 3.28 3husB1 TYR 416 H 0.09 0.15 0.11 -0.55 8.29 8.09 3husB1 TYR 416 HA 0.05 0.10 0.63 -0.75 4.56 4.59 3husB1 TYR 416 HB2 0.06 0.04 0.11 -0.04 3.06 3.23 3husB1 TYR 416 HB3 0.09 -0.06 0.18 -0.04 2.98 3.15 3husB1 TYR 416 HD2 0.21 -0.10 -0.15 -0.04 7.15 7.07 3husB1 TYR 416 HE2 0.35 0.02 -0.13 -0.04 6.85 7.05 3husB1 TYR 417 H -0.05 0.19 0.11 -0.55 8.29 8.00 3husB1 TYR 417 HA -0.04 0.10 0.69 -0.75 4.56 4.56 3husB1 TYR 417 HB2 -0.29 -0.01 0.00 -0.04 3.06 2.72 3husB1 TYR 417 HB3 -0.16 0.07 -0.18 -0.04 2.98 2.66 3husB1 TYR 417 HD2 -0.24 0.03 -0.08 -0.04 7.15 6.82 3husB1 TYR 417 HE2 -0.15 0.01 -0.32 -0.04 6.85 6.34 3husB1 TRP 418 H 0.18 0.15 0.10 -0.55 7.97 7.86 3husB1 TRP 418 HA -0.35 0.12 0.51 -0.75 4.62 4.14 3husB1 TRP 418 HB2 0.03 0.03 0.05 -0.04 3.23 3.30 3husB1 TRP 418 HB3 -0.11 0.01 0.07 -0.04 3.23 3.15 3husB1 TRP 418 HD1 -0.12 -0.00 -0.15 -0.04 7.22 6.91 3husB1 TRP 418 HE1 0.10 0.01 -0.01 -0.04 10.20 10.25 3husB1 TRP 418 HE3 0.56 0.02 -0.12 -0.04 7.59 8.01 3husB1 TRP 418 HZ2 0.24 0.00 0.00 -0.04 7.44 7.64 3husB1 TRP 418 HZ3 0.36 -0.07 -0.02 -0.04 7.13 7.36 3husB1 TRP 418 HH2 0.19 -0.00 0.01 -0.04 7.19 7.35 3husB1 GLY 419 H -3.38 0.19 0.08 -0.55 8.43 4.77 3husB1 GLY 419 HA2 -1.15 0.02 0.40 -0.51 4.01 2.77 3husB1 GLY 419 HA3 -0.62 0.18 0.69 -0.51 4.01 3.74 3husB1 GLY 420 H -0.91 0.25 -0.75 -0.55 8.43 6.47 3husB1 GLY 420 HA2 -0.86 0.30 0.36 -0.51 4.01 3.30 3husB1 GLY 420 HA3 -0.93 0.11 0.86 -0.51 4.01 3.55 3husB1 GLN 421 H -0.22 0.17 -0.20 -0.55 8.47 7.67 3husB1 GLN 421 HA 0.05 0.18 0.55 -0.75 4.36 4.38 3husB1 GLN 421 HB2 -0.05 -0.02 0.10 -0.04 2.15 2.14 3husB1 GLN 421 HB3 -0.03 -0.01 -0.06 -0.04 2.02 1.87 3husB1 GLN 421 HG2 0.01 -0.03 0.01 -0.04 2.40 2.35 3husB1 GLN 421 HG3 0.08 0.12 0.07 -0.04 2.39 2.61 3husB1 GLN 421 HE21 0.05 -0.03 -0.01 -0.04 6.97 6.94 3husB1 GLN 421 HE22 0.07 0.04 -0.00 -0.04 7.69 7.76 3husB1 TYR 422 H -0.04 0.42 0.17 -0.55 8.29 8.29 3husB1 TYR 422 HA -0.13 0.09 0.59 -0.75 4.56 4.36 3husB1 TYR 422 HB2 -0.44 -0.03 -0.00 -0.04 3.06 2.55 3husB1 TYR 422 HB3 -0.37 0.03 -0.28 -0.04 2.98 2.32 3husB1 TYR 422 HD2 -0.22 0.08 -0.20 -0.04 7.15 6.77 3husB1 TYR 422 HE2 0.05 -0.06 -0.26 -0.04 6.85 6.53 3husB1 THR 423 H -0.07 0.11 0.10 -0.55 8.28 7.87 3husB1 THR 423 HA -0.61 0.30 0.92 -0.75 4.39 4.25 3husB1 THR 423 HB -0.46 -0.15 0.17 -0.04 4.32 3.84 3husB1 THR 423 HG23 -0.29 0.03 -0.12 -0.04 1.22 0.81 3husB1 TRP 424 H -0.48 0.17 0.15 -0.55 7.97 7.26 3husB1 TRP 424 HA 0.08 0.17 0.35 -0.75 4.62 4.47 3husB1 TRP 424 HB2 0.00 0.22 0.15 -0.04 3.23 3.56 3husB1 TRP 424 HB3 -0.57 -0.01 0.14 -0.04 3.23 2.75 3husB1 TRP 424 HD1 -0.47 -0.01 0.10 -0.04 7.22 6.79 3husB1 TRP 424 HE1 -0.16 0.01 0.02 -0.04 10.20 10.03 3husB1 TRP 424 HE3 0.01 0.03 -0.21 -0.04 7.59 7.38 3husB1 TRP 424 HZ2 -0.06 -0.00 -0.01 -0.04 7.44 7.32 3husB1 TRP 424 HZ3 0.00 0.04 -0.07 -0.04 7.13 7.06 3husB1 TRP 424 HH2 -0.02 0.01 -0.03 -0.04 7.19 7.10 3husB1 ASP 425 H -1.23 0.01 -0.10 -0.55 8.40 6.53 3husB1 ASP 425 HA -0.65 0.20 0.47 -0.75 4.63 3.90 3husB1 ASP 425 HB2 -0.64 0.06 0.05 -0.04 2.71 2.14 3husB1 ASP 425 HB3 -1.84 -0.01 0.05 -0.04 2.70 0.85 3husB1 MET 426 H -0.21 -0.02 -0.46 -0.55 8.47 7.24 3husB1 MET 426 HA -0.03 0.13 0.58 -0.75 4.52 4.44 3husB1 MET 426 HB2 0.07 0.05 0.06 -0.04 2.15 2.30 3husB1 MET 426 HB3 0.15 0.03 0.01 -0.04 2.03 2.18 3husB1 MET 426 HG2 -0.05 0.08 -0.03 -0.04 2.63 2.59 3husB1 MET 426 HG3 -0.14 -0.13 -0.04 -0.04 2.56 2.21 3husB1 MET 426 HE3 -0.08 0.01 -0.04 -0.04 2.10 1.95 3husB1 ALA 427 H 0.16 0.16 -0.27 -0.55 8.40 7.91 3husB1 ALA 427 HA 0.34 0.03 0.46 -0.75 4.34 4.42 3husB1 ALA 427 HB3 0.40 0.02 0.05 -0.04 1.41 1.84 3husB1 LYS 428 H 0.19 0.11 0.14 -0.55 8.42 8.30 3husB1 LYS 428 HA -0.01 0.15 0.30 -0.75 4.32 4.01 3husB1 LYS 428 HB2 0.06 0.01 0.13 -0.04 1.87 2.03 3husB1 LYS 428 HB3 0.17 -0.03 0.07 -0.04 1.79 1.95 3husB1 LYS 428 HG2 -0.36 0.01 -0.03 -0.04 1.46 1.04 3husB1 LYS 428 HG3 -0.08 0.02 0.06 -0.04 1.46 1.43 3husB1 LYS 428 HD2 0.02 0.00 0.02 -0.04 1.69 1.69 3husB1 LYS 428 HD3 0.13 -0.02 -0.00 -0.04 1.68 1.75 3husB1 LYS 428 HE2 -0.04 -0.01 0.00 -0.04 2.99 2.90 3husB1 LYS 428 HE3 -0.03 0.01 0.01 -0.04 2.99 2.94 3husB1 HIS 429 H 0.26 -0.00 -0.10 -0.55 8.41 8.03 3husB1 HIS 429 HA 0.12 0.27 0.92 -0.75 4.63 5.19 3husB1 HIS 429 HB2 0.12 0.01 0.10 -0.04 3.26 3.45 3husB1 HIS 429 HB3 0.12 0.03 0.13 -0.04 3.20 3.43 3husB1 HIS 429 HD2 0.07 0.01 0.02 -0.04 6.97 7.02 3husB1 HIS 429 HE1 0.01 0.02 -0.01 -0.04 7.75 7.73 3husB1 GLY 430 H 0.29 0.04 -0.21 -0.55 8.43 8.00 3husB1 GLY 430 HA2 0.46 0.31 0.35 -0.51 4.01 4.61 3husB1 GLY 430 HA3 0.36 0.13 0.64 -0.51 4.01 4.63 3husB1 THR 431 H 0.29 0.05 -0.28 -0.55 8.28 7.80 3husB1 THR 431 HA 0.29 0.12 0.60 -0.75 4.39 4.65 3husB1 THR 431 HB 0.07 -0.04 -0.05 -0.04 4.32 4.26 3husB1 THR 431 HG23 0.12 0.02 -0.11 -0.04 1.22 1.21 3husB1 ASP 432 H -0.14 0.11 0.04 -0.55 8.40 7.86 3husB1 ASP 432 HA -0.14 0.11 0.37 -0.75 4.63 4.22 3husB1 ASP 432 HB2 -0.59 0.26 0.06 -0.04 2.71 2.40 3husB1 ASP 432 HB3 -2.09 -0.07 -0.03 -0.04 2.70 0.47 3husB1 ASP 433 H 0.23 0.41 0.20 -0.55 8.40 8.69 3husB1 ASP 433 HA 0.06 0.05 0.67 -0.75 4.63 4.66 3husB1 ASP 433 HB2 0.11 -0.19 -0.04 -0.04 2.71 2.55 3husB1 ASP 433 HB3 0.13 0.22 0.07 -0.04 2.70 3.08 3husB1 GLY 434 H 0.03 -0.10 0.18 -0.55 8.43 7.98 3husB1 GLY 434 HA2 0.06 0.16 0.34 -0.51 4.01 4.06 3husB1 GLY 434 HA3 0.00 0.24 0.73 -0.51 4.01 4.47 3husB1 VAL 435 H 0.04 0.24 0.05 -0.55 8.24 8.03 3husB1 VAL 435 HA -0.02 0.26 0.58 -0.75 4.13 4.19 3husB1 VAL 435 HB 0.09 -0.19 0.26 -0.04 2.12 2.24 3husB1 VAL 435 HG13 0.06 0.01 -0.10 -0.04 0.97 0.89 3husB1 VAL 435 HG23 0.11 0.06 -0.08 -0.04 0.95 0.99 3husB1 VAL 436 H -0.01 0.39 0.25 -0.55 8.24 8.31 3husB1 VAL 436 HA 0.21 0.31 0.81 -0.75 4.13 4.70 3husB1 VAL 436 HB 0.10 -0.12 -0.02 -0.04 2.12 2.04 3husB1 VAL 436 HG13 0.12 0.01 -0.13 -0.04 0.97 0.93 3husB1 VAL 436 HG23 0.14 0.07 -0.45 -0.04 0.95 0.66 3husB1 TRP 437 H 0.37 0.33 0.05 -0.55 7.97 8.17 3husB1 TRP 437 HA 0.11 0.13 0.63 -0.75 4.62 4.74 3husB1 TRP 437 HB2 0.12 0.06 -0.10 -0.04 3.23 3.26 3husB1 TRP 437 HB3 0.26 -0.02 0.14 -0.04 3.23 3.57 3husB1 TRP 437 HD1 0.21 -0.08 -0.21 -0.04 7.22 7.10 3husB1 TRP 437 HE1 0.10 0.24 -0.36 -0.04 10.20 10.14 3husB1 TRP 437 HE3 0.00 0.05 -0.06 -0.04 7.59 7.54 3husB1 TRP 437 HZ2 0.18 0.02 0.06 -0.04 7.44 7.66 3husB1 TRP 437 HZ3 0.06 0.03 -0.07 -0.04 7.13 7.11 3husB1 TRP 437 HH2 0.21 -0.01 -0.02 -0.04 7.19 7.33 3husB1 MET 438 H -0.08 0.64 0.12 -0.55 8.47 8.61 3husB1 MET 438 HA 0.08 0.07 0.25 -0.75 4.52 4.16 3husB1 MET 438 HB2 -0.09 0.06 0.11 -0.04 2.15 2.18 3husB1 MET 438 HB3 -0.04 -0.10 -0.01 -0.04 2.03 1.84 3husB1 MET 438 HG2 -0.09 -0.09 -0.36 -0.04 2.63 2.06 3husB1 MET 438 HG3 -0.05 0.12 -0.11 -0.04 2.56 2.48 3husB1 MET 438 HE3 -0.46 0.01 -0.08 -0.04 2.10 1.53 3husB1 ASN 439 H 0.03 0.13 -0.27 -0.55 8.53 7.88 3husB1 ASN 439 HA 0.13 -0.02 0.41 -0.75 4.76 4.52 3husB1 ASN 439 HB2 0.37 0.06 -0.11 -0.04 2.88 3.16 3husB1 ASN 439 HB3 0.26 0.01 0.14 -0.04 2.79 3.15 3husB1 ASN 439 HD21 -0.11 0.45 -0.21 -0.04 7.03 7.11 3husB1 ASN 439 HD22 -0.20 -0.12 -0.11 -0.04 7.74 7.27 3husB1 TRP 440 H 0.48 0.09 -0.45 -0.55 7.97 7.54 3husB1 TRP 440 HA 0.11 0.23 0.98 -0.75 4.62 5.18 3husB1 TRP 440 HB2 0.16 0.20 -0.00 -0.04 3.23 3.55 3husB1 TRP 440 HB3 0.19 -0.03 0.08 -0.04 3.23 3.42 3husB1 TRP 440 HD1 0.03 0.10 0.09 -0.04 7.22 7.39 3husB1 TRP 440 HE1 -0.01 -0.01 -0.06 -0.04 10.20 10.07 3husB1 TRP 440 HE3 0.07 0.02 -0.11 -0.04 7.59 7.53 3husB1 TRP 440 HZ2 -0.03 -0.05 -0.16 -0.04 7.44 7.16 3husB1 TRP 440 HZ3 0.06 -0.02 -0.23 -0.04 7.13 6.90 3husB1 TRP 440 HH2 0.00 -0.12 -0.02 -0.04 7.19 7.01 3husB1 LYS 441 H 0.23 0.22 0.20 -0.55 8.42 8.51 3husB1 LYS 441 HA -0.35 0.23 0.93 -0.75 4.32 4.37 3husB1 LYS 441 HB2 0.06 0.06 -0.01 -0.04 1.87 1.93 3husB1 LYS 441 HB3 -0.30 -0.01 -0.06 -0.04 1.79 1.37 3husB1 LYS 441 HG2 -1.41 -0.04 -0.33 -0.04 1.46 -0.36 3husB1 LYS 441 HG3 -0.70 -0.03 -0.12 -0.04 1.46 0.56 3husB1 LYS 441 HD2 -1.16 -0.02 -0.03 -0.04 1.69 0.44 3husB1 LYS 441 HD3 -0.81 0.11 0.02 -0.04 1.68 0.97 3husB1 LYS 441 HE2 -1.99 0.03 -0.09 -0.04 2.99 0.91 3husB1 LYS 441 HE3 -1.08 -0.11 -0.04 -0.04 2.99 1.72 3husB1 GLY 442 H 0.11 0.02 0.15 -0.55 8.43 8.16 3husB1 GLY 442 HA2 0.02 0.09 0.36 -0.51 4.01 3.97 3husB1 GLY 442 HA3 0.02 0.17 0.83 -0.51 4.01 4.51 3husB1 SER 443 H -0.09 0.14 0.13 -0.55 8.46 8.10 3husB1 SER 443 HA -0.17 0.13 0.50 -0.75 4.49 4.19 3husB1 SER 443 HB2 -0.78 0.00 0.08 -0.04 3.95 3.21 3husB1 SER 443 HB3 -0.80 0.04 0.04 -0.04 3.93 3.17 3husB1 TRP 444 H 0.01 0.05 -0.12 -0.55 7.97 7.36 3husB1 TRP 444 HA -0.67 0.24 0.61 -0.75 4.62 4.04 3husB1 TRP 444 HB2 -0.17 -0.04 0.17 -0.04 3.23 3.15 3husB1 TRP 444 HB3 -0.47 0.33 0.26 -0.04 3.23 3.31 3husB1 TRP 444 HD1 -0.07 -0.01 0.04 -0.04 7.22 7.14 3husB1 TRP 444 HE1 -0.04 0.01 -0.00 -0.04 10.20 10.13 3husB1 TRP 444 HE3 -1.02 0.15 -0.27 -0.04 7.59 6.41 3husB1 TRP 444 HZ2 0.02 0.02 -0.01 -0.04 7.44 7.42 3husB1 TRP 444 HZ3 0.13 0.11 -0.49 -0.04 7.13 6.84 3husB1 TRP 444 HH2 0.16 0.32 -0.10 -0.04 7.19 7.52 3husB1 TYR 445 H 0.25 0.35 -0.56 -0.55 8.29 7.77 3husB1 TYR 445 HA 0.15 0.20 0.44 -0.75 4.56 4.60 3husB1 TYR 445 HB2 0.02 0.05 -0.27 -0.04 3.06 2.82 3husB1 TYR 445 HB3 0.05 -0.08 -0.20 -0.04 2.98 2.72 3husB1 TYR 445 HD2 0.04 -0.01 -0.25 -0.04 7.15 6.89 3husB1 TYR 445 HE2 0.06 -0.07 -0.03 -0.04 6.85 6.78 3husB1 SER 446 H -0.22 0.70 0.18 -0.55 8.46 8.57 3husB1 SER 446 HA 0.08 0.37 0.82 -0.75 4.49 5.02 3husB1 SER 446 HB2 -0.14 -0.02 0.02 -0.04 3.95 3.78 3husB1 SER 446 HB3 -0.12 0.03 0.09 -0.04 3.93 3.90 3husB1 MET 447 H 0.14 0.38 0.22 -0.55 8.47 8.66 3husB1 MET 447 HA 0.25 -0.04 0.51 -0.75 4.52 4.49 3husB1 MET 447 HB2 0.13 -0.01 -0.08 -0.04 2.15 2.14 3husB1 MET 447 HB3 0.17 0.08 0.03 -0.04 2.03 2.27 3husB1 MET 447 HG2 0.27 0.29 -0.02 -0.04 2.63 3.13 3husB1 MET 447 HG3 0.26 -0.07 -0.13 -0.04 2.56 2.59 3husB1 MET 447 HE3 0.54 0.00 -0.04 -0.04 2.10 2.57 3husB1 ARG 448 H -0.31 0.17 0.25 -0.55 8.46 8.02 3husB1 ARG 448 HA -0.60 0.08 0.49 -0.75 4.34 3.55 3husB1 ARG 448 HB2 -2.42 -0.11 -0.07 -0.04 1.90 -0.74 3husB1 ARG 448 HB3 -0.69 0.09 0.01 -0.04 1.80 1.17 3husB1 ARG 448 HG2 -0.59 0.04 -0.10 -0.04 1.67 0.97 3husB1 ARG 448 HG3 -1.46 -0.00 0.05 -0.04 1.67 0.22 3husB1 ARG 448 HD2 -0.71 -0.03 -0.00 -0.04 3.22 2.44 3husB1 ARG 448 HD3 -1.43 -0.06 0.00 -0.04 3.22 1.69 3husB1 LYS 449 H -0.14 0.38 0.21 -0.55 8.42 8.32 3husB1 LYS 449 HA -0.07 0.36 0.88 -0.75 4.32 4.73 3husB1 LYS 449 HB2 -0.11 -0.14 0.11 -0.04 1.87 1.70 3husB1 LYS 449 HB3 -0.09 0.01 0.03 -0.04 1.79 1.70 3husB1 LYS 449 HG2 -0.12 0.08 0.07 -0.04 1.46 1.45 3husB1 LYS 449 HG3 -0.19 -0.03 -0.20 -0.04 1.46 1.00 3husB1 LYS 449 HD2 -0.10 -0.05 -0.05 -0.04 1.69 1.45 3husB1 LYS 449 HD3 -0.09 -0.01 -0.04 -0.04 1.68 1.51 3husB1 LYS 449 HE2 -0.13 0.01 -0.05 -0.04 2.99 2.78 3husB1 LYS 449 HE3 -0.07 -0.02 -0.04 -0.04 2.99 2.81 3husB1 MET 450 H -0.05 0.65 0.23 -0.55 8.47 8.76 3husB1 MET 450 HA -0.08 0.20 0.76 -0.75 4.52 4.64 3husB1 MET 450 HB2 0.01 0.05 -0.16 -0.04 2.15 2.01 3husB1 MET 450 HB3 -0.02 0.00 0.02 -0.04 2.03 1.99 3husB1 MET 450 HG2 -0.02 -0.05 -0.06 -0.04 2.63 2.46 3husB1 MET 450 HG3 -0.02 -0.01 -0.31 -0.04 2.56 2.18 3husB1 MET 450 HE3 0.13 -0.01 -0.19 -0.04 2.10 1.99 3husB1 SER 451 H -0.10 0.76 0.38 -0.55 8.46 8.96 3husB1 SER 451 HA -0.04 0.21 1.01 -0.75 4.49 4.92 3husB1 SER 451 HB2 -0.05 0.08 0.11 -0.04 3.95 4.05 3husB1 SER 451 HB3 -0.06 -0.02 -0.01 -0.04 3.93 3.79 3husB1 MET 452 H -0.02 0.62 0.37 -0.55 8.47 8.89 3husB1 MET 452 HA -0.05 0.29 1.08 -0.75 4.52 5.09 3husB1 MET 452 HB2 0.08 -0.06 0.14 -0.04 2.15 2.26 3husB1 MET 452 HB3 0.03 0.04 0.01 -0.04 2.03 2.06 3husB1 MET 452 HG2 0.12 0.02 -0.02 -0.04 2.63 2.71 3husB1 MET 452 HG3 0.13 -0.04 -0.33 -0.04 2.56 2.29 3husB1 MET 452 HE3 0.33 0.01 -0.08 -0.04 2.10 2.31 3husB1 LYS 453 H -0.08 0.56 0.36 -0.55 8.42 8.71 3husB1 LYS 453 HA 0.10 0.23 0.96 -0.75 4.32 4.86 3husB1 LYS 453 HB2 0.32 -0.03 -0.20 -0.04 1.87 1.92 3husB1 LYS 453 HB3 0.07 -0.01 -0.21 -0.04 1.79 1.59 3husB1 LYS 453 HG2 -0.27 0.17 0.07 -0.04 1.46 1.38 3husB1 LYS 453 HG3 -0.66 0.01 -0.07 -0.04 1.46 0.70 3husB1 LYS 453 HD2 -0.71 -0.02 -0.11 -0.04 1.69 0.81 3husB1 LYS 453 HD3 -0.17 -0.02 -0.11 -0.04 1.68 1.34 3husB1 LYS 453 HE2 -0.05 0.03 -0.17 -0.04 2.99 2.75 3husB1 LYS 453 HE3 -0.19 -0.00 -0.15 -0.04 2.99 2.61 3husB1 ILE 454 H 0.26 0.56 0.35 -0.55 8.25 8.87 3husB1 ILE 454 HA 0.36 0.40 1.21 -0.75 4.18 5.40 3husB1 ILE 454 HB 0.20 0.08 0.08 -0.04 1.89 2.20 3husB1 ILE 454 HG12 0.14 0.03 0.12 -0.04 1.49 1.74 3husB1 ILE 454 HG13 0.14 -0.13 0.13 -0.04 1.21 1.31 3husB1 ILE 454 HG23 0.22 -0.01 -0.16 -0.04 0.93 0.94 3husB1 ILE 454 HD13 0.13 0.04 -0.03 -0.04 0.88 0.98 3husB1 ARG 455 H 0.14 0.49 0.35 -0.55 8.46 8.89 3husB1 ARG 455 HA -0.10 0.07 0.76 -0.75 4.34 4.31 3husB1 ARG 455 HB2 -0.95 -0.06 -0.32 -0.04 1.90 0.53 3husB1 ARG 455 HB3 -0.72 -0.04 -0.05 -0.04 1.80 0.96 3husB1 ARG 455 HG2 -0.30 0.15 0.01 -0.04 1.67 1.48 3husB1 ARG 455 HG3 -0.39 0.07 0.14 -0.04 1.67 1.46 3husB1 ARG 455 HD2 -0.52 0.04 0.00 -0.04 3.22 2.70 3husB1 ARG 455 HD3 -1.58 -0.06 -0.27 -0.04 3.22 1.26 3husB1 PRO 456 HA 0.04 0.32 0.74 -0.51 4.44 5.04 3husB1 PRO 456 HB2 0.01 -0.02 0.07 -0.04 2.28 2.29 3husB1 PRO 456 HB3 0.03 0.05 0.11 -0.04 2.02 2.16 3husB1 PRO 456 HG2 -0.03 -0.05 0.07 -0.04 2.03 1.98 3husB1 PRO 456 HG3 0.00 0.10 0.05 -0.04 2.03 2.14 3husB1 PRO 456 HD2 -0.10 0.12 0.27 -0.04 3.68 3.93 3husB1 PRO 456 HD3 -0.03 0.11 0.17 -0.04 3.65 3.85 3husB1 PHE 457 H 0.11 0.70 0.29 -0.55 8.34 8.89 3husB1 PHE 457 HA -0.23 0.15 0.67 -0.75 4.62 4.45 3husB1 PHE 457 HB2 -0.09 0.03 -0.10 -0.04 3.15 2.96 3husB1 PHE 457 HB3 -0.15 -0.00 -0.01 -0.04 3.06 2.85 3husB1 PHE 457 HD2 -0.13 0.03 0.01 -0.04 7.28 7.14 3husB1 PHE 457 HE2 -0.05 -0.04 0.00 -0.04 7.38 7.25 3husB1 PHE 457 HZ -0.05 -0.05 0.01 -0.04 7.32 7.18 3husB1 PHE 458 H 0.06 0.04 -0.35 -0.55 8.34 7.53 3husB1 PHE 458 HA -0.04 0.03 0.14 -0.75 4.62 4.00 3husB1 PHE 458 HB2 -0.08 -0.01 0.04 -0.04 3.15 3.05 3husB1 PHE 458 HB3 -0.10 0.02 -0.06 -0.04 3.06 2.88 3husB1 PHE 458 HD2 -0.15 -0.01 -0.11 -0.04 7.28 6.97 3husB1 PHE 458 HE2 -0.21 -0.02 -0.04 -0.04 7.38 7.07 3husB1 PHE 458 HZ -0.24 -0.05 -0.03 -0.04 7.32 6.96